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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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/fu2-addd3059/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/fu2-addd3059/inputs/seq.fa: 1 curr_seq: _GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGAAUUGUGAGCGGAUAACAAUUCCCCUCUAGACACCGGAUACCUUUGUUAUGUAACGUUUUCAUACUAUAACGAAGACAAGGCGAACCUUGUCUUCGUUAUAGUAUGUUUUAGAAGGAUGUCGACGGCAAGGCGAACCUUGCCGUCGACAUCCUUCUUUUUCGUUACAUAACAAAGGUAUCCCGAAGCUGAGCAAUAA 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 199 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: 1000 n_atoms_counter: 1000 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 199.000000 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: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 1 Temperature: 1.300000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -794.129375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.129375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.129375 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.571 Base-Backbone interact. energy: -0.000 local terms energy: -774.557823 where: bonds (distance) C4'-P energy: -193.344 bonds (distance) P-C4' energy: -178.930 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -167.135 tors. eta vs tors. theta energy: -89.038 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -968.399104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.399104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.399104 (E_RNA) where: Base-Base interactions energy: -417.032 where: short stacking energy: -417.260 Base-Backbone interact. energy: -0.319 local terms energy: -551.048956 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -130.939 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -70.628 tors. eta vs tors. theta energy: -97.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -894.771392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.771392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.771392 (E_RNA) where: Base-Base interactions energy: -376.677 where: short stacking energy: -371.368 Base-Backbone interact. energy: -0.287 local terms energy: -517.806999 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -121.206 flat angles C4'-P-C4' energy: -119.666 flat angles P-C4'-P energy: -69.920 tors. eta vs tors. theta energy: -93.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -826.399129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.399129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.399129 (E_RNA) where: Base-Base interactions energy: -300.909 where: short stacking energy: -300.751 Base-Backbone interact. energy: -0.379 local terms energy: -525.111494 where: bonds (distance) C4'-P energy: -128.636 bonds (distance) P-C4' energy: -132.374 flat angles C4'-P-C4' energy: -114.321 flat angles P-C4'-P energy: -73.640 tors. eta vs tors. theta energy: -76.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -800.513612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.513612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.513612 (E_RNA) where: Base-Base interactions energy: -131.446 where: short stacking energy: -131.446 Base-Backbone interact. energy: -0.000 local terms energy: -669.067233 where: bonds (distance) C4'-P energy: -140.979 bonds (distance) P-C4' energy: -131.970 flat angles C4'-P-C4' energy: -145.281 flat angles P-C4'-P energy: -151.180 tors. eta vs tors. theta energy: -99.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -794.711115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.711115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.711115 (E_RNA) where: Base-Base interactions energy: -29.554 where: short stacking energy: -29.554 Base-Backbone interact. energy: -0.000 local terms energy: -765.156647 where: bonds (distance) C4'-P energy: -188.202 bonds (distance) P-C4' energy: -172.328 flat angles C4'-P-C4' energy: -147.540 flat angles P-C4'-P energy: -165.884 tors. eta vs tors. theta energy: -91.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -794.321869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.321869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.321869 (E_RNA) where: Base-Base interactions energy: -29.574 where: short stacking energy: -29.574 Base-Backbone interact. energy: -0.000 local terms energy: -764.747410 where: bonds (distance) C4'-P energy: -188.202 bonds (distance) P-C4' energy: -172.328 flat angles C4'-P-C4' energy: -147.326 flat angles P-C4'-P energy: -165.835 tors. eta vs tors. theta energy: -91.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -794.113942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.113942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.113942 (E_RNA) where: Base-Base interactions energy: -29.871 where: short stacking energy: -29.871 Base-Backbone interact. energy: -0.000 local terms energy: -764.243218 where: bonds (distance) C4'-P energy: -188.202 bonds (distance) P-C4' energy: -172.328 flat angles C4'-P-C4' energy: -146.936 flat angles P-C4'-P energy: -165.786 tors. eta vs tors. theta energy: -90.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -793.432392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.432392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.432392 (E_RNA) where: Base-Base interactions energy: -29.864 where: short stacking energy: -29.864 Base-Backbone interact. energy: -0.000 local terms energy: -763.568107 where: bonds (distance) C4'-P energy: -187.597 bonds (distance) P-C4' energy: -172.328 flat angles C4'-P-C4' energy: -146.970 flat angles P-C4'-P energy: -165.786 tors. eta vs tors. theta energy: -90.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -793.311152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.311152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.311152 (E_RNA) where: Base-Base interactions energy: -30.135 where: short stacking energy: -30.135 Base-Backbone interact. energy: -0.000 local terms energy: -763.176160 where: bonds (distance) C4'-P energy: -187.597 bonds (distance) P-C4' energy: -172.328 flat angles C4'-P-C4' energy: -146.970 flat angles P-C4'-P energy: -165.709 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -791.939086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.939086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.939086 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.000 local terms energy: -770.290095 where: bonds (distance) C4'-P energy: -192.375 bonds (distance) P-C4' energy: -176.181 flat angles C4'-P-C4' energy: -145.761 flat angles P-C4'-P energy: -166.702 tors. eta vs tors. theta energy: -89.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1016.290884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.290884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.290884 (E_RNA) where: Base-Base interactions energy: -428.278 where: short stacking energy: -411.815 Base-Backbone interact. energy: -0.619 local terms energy: -587.394389 where: bonds (distance) C4'-P energy: -139.892 bonds (distance) P-C4' energy: -119.206 flat angles C4'-P-C4' energy: -128.315 flat angles P-C4'-P energy: -85.705 tors. eta vs tors. theta energy: -114.276 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: 3 Temperature: 0.950000 Total energy: -936.917899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.917899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.917899 (E_RNA) where: Base-Base interactions energy: -399.303 where: short stacking energy: -393.780 Base-Backbone interact. energy: -0.535 local terms energy: -537.080836 where: bonds (distance) C4'-P energy: -126.026 bonds (distance) P-C4' energy: -115.631 flat angles C4'-P-C4' energy: -121.240 flat angles P-C4'-P energy: -80.427 tors. eta vs tors. theta energy: -93.757 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: 3 Temperature: 1.000000 Total energy: -840.759554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.759554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.759554 (E_RNA) where: Base-Base interactions energy: -351.610 where: short stacking energy: -343.373 Base-Backbone interact. energy: -1.507 local terms energy: -487.641742 where: bonds (distance) C4'-P energy: -111.816 bonds (distance) P-C4' energy: -120.165 flat angles C4'-P-C4' energy: -115.988 flat angles P-C4'-P energy: -63.117 tors. eta vs tors. theta energy: -76.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -824.790917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.790917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.790917 (E_RNA) where: Base-Base interactions energy: -345.375 where: short stacking energy: -295.801 Base-Backbone interact. energy: 4.500 local terms energy: -483.916392 where: bonds (distance) C4'-P energy: -133.511 bonds (distance) P-C4' energy: -117.737 flat angles C4'-P-C4' energy: -117.689 flat angles P-C4'-P energy: -68.520 tors. eta vs tors. theta energy: -46.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -741.971510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.971510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.971510 (E_RNA) where: Base-Base interactions energy: -276.524 where: short stacking energy: -251.807 Base-Backbone interact. energy: -0.936 local terms energy: -464.512047 where: bonds (distance) C4'-P energy: -115.131 bonds (distance) P-C4' energy: -127.366 flat angles C4'-P-C4' energy: -122.481 flat angles P-C4'-P energy: -58.748 tors. eta vs tors. theta energy: -40.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -651.940632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.940632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.940632 (E_RNA) where: Base-Base interactions energy: -248.055 where: short stacking energy: -228.266 Base-Backbone interact. energy: -0.361 local terms energy: -403.524941 where: bonds (distance) C4'-P energy: -97.570 bonds (distance) P-C4' energy: -111.486 flat angles C4'-P-C4' energy: -106.730 flat angles P-C4'-P energy: -67.435 tors. eta vs tors. theta energy: -20.305 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -594.532801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.532801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.532801 (E_RNA) where: Base-Base interactions energy: -194.678 where: short stacking energy: -183.344 Base-Backbone interact. energy: -1.757 local terms energy: -398.098144 where: bonds (distance) C4'-P energy: -109.097 bonds (distance) P-C4' energy: -112.420 flat angles C4'-P-C4' energy: -109.299 flat angles P-C4'-P energy: -42.919 tors. eta vs tors. theta energy: -24.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -550.990479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.990479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.990479 (E_RNA) where: Base-Base interactions energy: -195.703 where: short stacking energy: -162.283 Base-Backbone interact. energy: 0.252 local terms energy: -355.539057 where: bonds (distance) C4'-P energy: -117.378 bonds (distance) P-C4' energy: -114.258 flat angles C4'-P-C4' energy: -86.957 flat angles P-C4'-P energy: -40.523 tors. eta vs tors. theta energy: 3.577 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: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -527.730057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.730057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.730057 (E_RNA) where: Base-Base interactions energy: -204.343 where: short stacking energy: -155.147 Base-Backbone interact. energy: 0.183 local terms energy: -323.569306 where: bonds (distance) C4'-P energy: -94.797 bonds (distance) P-C4' energy: -99.942 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -54.975 tors. eta vs tors. theta energy: 13.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -523.905940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.905940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.905940 (E_RNA) where: Base-Base interactions energy: -187.898 where: short stacking energy: -152.773 Base-Backbone interact. energy: -2.628 local terms energy: -333.379479 where: bonds (distance) C4'-P energy: -109.308 bonds (distance) P-C4' energy: -89.266 flat angles C4'-P-C4' energy: -80.563 flat angles P-C4'-P energy: -62.519 tors. eta vs tors. theta energy: 8.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1068.708127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.708127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.708127 (E_RNA) where: Base-Base interactions energy: -494.753 where: short stacking energy: -438.976 Base-Backbone interact. energy: 0.074 local terms energy: -574.028662 where: bonds (distance) C4'-P energy: -129.873 bonds (distance) P-C4' energy: -134.955 flat angles C4'-P-C4' energy: -123.067 flat angles P-C4'-P energy: -84.194 tors. eta vs tors. theta energy: -101.940 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1012.965191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.965191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.965191 (E_RNA) where: Base-Base interactions energy: -484.433 where: short stacking energy: -390.952 Base-Backbone interact. energy: -1.314 local terms energy: -527.218840 where: bonds (distance) C4'-P energy: -115.028 bonds (distance) P-C4' energy: -126.737 flat angles C4'-P-C4' energy: -119.212 flat angles P-C4'-P energy: -76.631 tors. eta vs tors. theta energy: -89.611 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: 4 Temperature: 1.000000 Total energy: -849.637009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.637009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.637009 (E_RNA) where: Base-Base interactions energy: -343.730 where: short stacking energy: -317.205 Base-Backbone interact. energy: -0.582 local terms energy: -505.325848 where: bonds (distance) C4'-P energy: -121.704 bonds (distance) P-C4' energy: -135.026 flat angles C4'-P-C4' energy: -124.479 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -44.608 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -768.909171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.909171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.909171 (E_RNA) where: Base-Base interactions energy: -293.351 where: short stacking energy: -250.119 Base-Backbone interact. energy: -2.011 local terms energy: -473.547202 where: bonds (distance) C4'-P energy: -123.857 bonds (distance) P-C4' energy: -117.343 flat angles C4'-P-C4' energy: -100.244 flat angles P-C4'-P energy: -76.543 tors. eta vs tors. theta energy: -55.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -706.273342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.273342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.273342 (E_RNA) where: Base-Base interactions energy: -276.709 where: short stacking energy: -261.133 Base-Backbone interact. energy: 4.520 local terms energy: -434.083544 where: bonds (distance) C4'-P energy: -107.471 bonds (distance) P-C4' energy: -114.779 flat angles C4'-P-C4' energy: -108.382 flat angles P-C4'-P energy: -64.146 tors. eta vs tors. theta energy: -39.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -674.206042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.206042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.206042 (E_RNA) where: Base-Base interactions energy: -228.804 where: short stacking energy: -219.793 Base-Backbone interact. energy: -0.798 local terms energy: -444.604556 where: bonds (distance) C4'-P energy: -107.601 bonds (distance) P-C4' energy: -128.792 flat angles C4'-P-C4' energy: -109.987 flat angles P-C4'-P energy: -58.462 tors. eta vs tors. theta energy: -39.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -600.136084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.136084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.136084 (E_RNA) where: Base-Base interactions energy: -250.831 where: short stacking energy: -152.540 Base-Backbone interact. energy: -2.098 local terms energy: -347.206580 where: bonds (distance) C4'-P energy: -90.226 bonds (distance) P-C4' energy: -123.227 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -61.359 tors. eta vs tors. theta energy: 15.993 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -566.414971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.414971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.414971 (E_RNA) where: Base-Base interactions energy: -196.059 where: short stacking energy: -171.248 Base-Backbone interact. energy: 0.655 local terms energy: -371.011063 where: bonds (distance) C4'-P energy: -99.192 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -93.823 flat angles P-C4'-P energy: -70.701 tors. eta vs tors. theta energy: -3.970 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -550.458574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.458574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.458574 (E_RNA) where: Base-Base interactions energy: -211.378 where: short stacking energy: -150.765 Base-Backbone interact. energy: 0.039 local terms energy: -339.119870 where: bonds (distance) C4'-P energy: -113.149 bonds (distance) P-C4' energy: -90.937 flat angles C4'-P-C4' energy: -79.532 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: 6.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -479.204435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.204435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.204435 (E_RNA) where: Base-Base interactions energy: -157.213 where: short stacking energy: -117.078 Base-Backbone interact. energy: 0.319 local terms energy: -322.310062 where: bonds (distance) C4'-P energy: -96.773 bonds (distance) P-C4' energy: -118.606 flat angles C4'-P-C4' energy: -76.306 flat angles P-C4'-P energy: -51.724 tors. eta vs tors. theta energy: 21.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1064.563139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.563139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.563139 (E_RNA) where: Base-Base interactions energy: -477.233 where: short stacking energy: -413.679 Base-Backbone interact. energy: 0.266 local terms energy: -587.595857 where: bonds (distance) C4'-P energy: -132.081 bonds (distance) P-C4' energy: -139.865 flat angles C4'-P-C4' energy: -133.459 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -106.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1024.543931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.543931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.543931 (E_RNA) where: Base-Base interactions energy: -504.502 where: short stacking energy: -387.617 Base-Backbone interact. energy: -0.126 local terms energy: -519.915940 where: bonds (distance) C4'-P energy: -131.088 bonds (distance) P-C4' energy: -118.000 flat angles C4'-P-C4' energy: -118.859 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -77.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -887.073557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.073557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.073557 (E_RNA) where: Base-Base interactions energy: -394.891 where: short stacking energy: -313.342 Base-Backbone interact. energy: -1.104 local terms energy: -491.078268 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -117.408 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -50.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -790.092898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.092898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.092898 (E_RNA) where: Base-Base interactions energy: -339.075 where: short stacking energy: -272.451 Base-Backbone interact. energy: -2.458 local terms energy: -448.559966 where: bonds (distance) C4'-P energy: -114.016 bonds (distance) P-C4' energy: -127.563 flat angles C4'-P-C4' energy: -96.532 flat angles P-C4'-P energy: -74.251 tors. eta vs tors. theta energy: -36.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -820.816958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.816958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.816958 (E_RNA) where: Base-Base interactions energy: -385.926 where: short stacking energy: -255.234 Base-Backbone interact. energy: -0.615 local terms energy: -434.276748 where: bonds (distance) C4'-P energy: -115.800 bonds (distance) P-C4' energy: -108.130 flat angles C4'-P-C4' energy: -103.423 flat angles P-C4'-P energy: -64.794 tors. eta vs tors. theta energy: -42.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -685.371523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.371523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.371523 (E_RNA) where: Base-Base interactions energy: -313.948 where: short stacking energy: -219.550 Base-Backbone interact. energy: -0.986 local terms energy: -370.437218 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -96.512 flat angles C4'-P-C4' energy: -97.382 flat angles P-C4'-P energy: -59.819 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -609.737958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.737958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.737958 (E_RNA) where: Base-Base interactions energy: -253.325 where: short stacking energy: -161.622 Base-Backbone interact. energy: -2.260 local terms energy: -354.153330 where: bonds (distance) C4'-P energy: -98.987 bonds (distance) P-C4' energy: -110.403 flat angles C4'-P-C4' energy: -87.814 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -557.194864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.194864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.194864 (E_RNA) where: Base-Base interactions energy: -198.410 where: short stacking energy: -150.169 Base-Backbone interact. energy: 2.274 local terms energy: -361.058677 where: bonds (distance) C4'-P energy: -98.775 bonds (distance) P-C4' energy: -123.629 flat angles C4'-P-C4' energy: -91.561 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: 11.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -599.922220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.922220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.922220 (E_RNA) where: Base-Base interactions energy: -263.796 where: short stacking energy: -171.124 Base-Backbone interact. energy: -1.074 local terms energy: -335.052635 where: bonds (distance) C4'-P energy: -103.134 bonds (distance) P-C4' energy: -101.367 flat angles C4'-P-C4' energy: -79.996 flat angles P-C4'-P energy: -53.375 tors. eta vs tors. theta energy: 2.820 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -463.735174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.735174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.735174 (E_RNA) where: Base-Base interactions energy: -145.230 where: short stacking energy: -137.773 Base-Backbone interact. energy: -0.049 local terms energy: -318.456006 where: bonds (distance) C4'-P energy: -100.903 bonds (distance) P-C4' energy: -89.593 flat angles C4'-P-C4' energy: -79.481 flat angles P-C4'-P energy: -67.699 tors. eta vs tors. theta energy: 19.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1102.691558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.691558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.691558 (E_RNA) where: Base-Base interactions energy: -541.864 where: short stacking energy: -428.956 Base-Backbone interact. energy: -2.091 local terms energy: -558.736916 where: bonds (distance) C4'-P energy: -124.196 bonds (distance) P-C4' energy: -124.041 flat angles C4'-P-C4' energy: -126.530 flat angles P-C4'-P energy: -86.623 tors. eta vs tors. theta energy: -97.347 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1104.672134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.672134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.672134 (E_RNA) where: Base-Base interactions energy: -564.906 where: short stacking energy: -390.394 Base-Backbone interact. energy: -2.103 local terms energy: -537.662782 where: bonds (distance) C4'-P energy: -114.629 bonds (distance) P-C4' energy: -129.478 flat angles C4'-P-C4' energy: -119.623 flat angles P-C4'-P energy: -72.622 tors. eta vs tors. theta energy: -101.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -877.483002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.483002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.483002 (E_RNA) where: Base-Base interactions energy: -395.640 where: short stacking energy: -302.868 Base-Backbone interact. energy: -1.393 local terms energy: -480.449801 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -117.121 flat angles C4'-P-C4' energy: -116.678 flat angles P-C4'-P energy: -81.743 tors. eta vs tors. theta energy: -56.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -848.046057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.046057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.046057 (E_RNA) where: Base-Base interactions energy: -385.687 where: short stacking energy: -287.904 Base-Backbone interact. energy: 0.441 local terms energy: -462.800157 where: bonds (distance) C4'-P energy: -106.529 bonds (distance) P-C4' energy: -125.291 flat angles C4'-P-C4' energy: -111.717 flat angles P-C4'-P energy: -61.207 tors. eta vs tors. theta energy: -58.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -852.728333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.728333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.728333 (E_RNA) where: Base-Base interactions energy: -404.757 where: short stacking energy: -261.544 Base-Backbone interact. energy: -0.689 local terms energy: -447.281563 where: bonds (distance) C4'-P energy: -96.672 bonds (distance) P-C4' energy: -110.408 flat angles C4'-P-C4' energy: -107.147 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -49.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -775.282151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.282151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.282151 (E_RNA) where: Base-Base interactions energy: -347.903 where: short stacking energy: -248.259 Base-Backbone interact. energy: -1.775 local terms energy: -425.604670 where: bonds (distance) C4'-P energy: -107.532 bonds (distance) P-C4' energy: -101.753 flat angles C4'-P-C4' energy: -101.215 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: -41.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -688.068660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.068660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.068660 (E_RNA) where: Base-Base interactions energy: -316.395 where: short stacking energy: -196.693 Base-Backbone interact. energy: -0.342 local terms energy: -371.331154 where: bonds (distance) C4'-P energy: -99.917 bonds (distance) P-C4' energy: -107.117 flat angles C4'-P-C4' energy: -89.560 flat angles P-C4'-P energy: -61.362 tors. eta vs tors. theta energy: -13.376 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: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -649.383084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.383084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.383084 (E_RNA) where: Base-Base interactions energy: -278.145 where: short stacking energy: -189.481 Base-Backbone interact. energy: 0.849 local terms energy: -372.086822 where: bonds (distance) C4'-P energy: -103.049 bonds (distance) P-C4' energy: -99.501 flat angles C4'-P-C4' energy: -108.159 flat angles P-C4'-P energy: -49.218 tors. eta vs tors. theta energy: -12.159 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: 6 Temperature: 1.300000 Total energy: -625.839848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.839848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.839848 (E_RNA) where: Base-Base interactions energy: -292.596 where: short stacking energy: -188.619 Base-Backbone interact. energy: 4.883 local terms energy: -338.126721 where: bonds (distance) C4'-P energy: -86.333 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -85.463 flat angles P-C4'-P energy: -60.134 tors. eta vs tors. theta energy: 1.709 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -453.402541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.402541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.402541 (E_RNA) where: Base-Base interactions energy: -145.100 where: short stacking energy: -125.517 Base-Backbone interact. energy: 2.675 local terms energy: -310.977953 where: bonds (distance) C4'-P energy: -104.412 bonds (distance) P-C4' energy: -103.113 flat angles C4'-P-C4' energy: -89.363 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: 19.327 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1141.920960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.920960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.920960 (E_RNA) where: Base-Base interactions energy: -572.919 where: short stacking energy: -442.982 Base-Backbone interact. energy: -1.786 local terms energy: -567.215853 where: bonds (distance) C4'-P energy: -115.648 bonds (distance) P-C4' energy: -115.369 flat angles C4'-P-C4' energy: -127.429 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -120.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1226.028938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.028938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.028938 (E_RNA) where: Base-Base interactions energy: -655.862 where: short stacking energy: -432.607 Base-Backbone interact. energy: -2.323 local terms energy: -567.843350 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -124.090 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -89.343 tors. eta vs tors. theta energy: -101.156 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -887.555046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.555046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.555046 (E_RNA) where: Base-Base interactions energy: -405.401 where: short stacking energy: -311.521 Base-Backbone interact. energy: -0.561 local terms energy: -481.593615 where: bonds (distance) C4'-P energy: -118.550 bonds (distance) P-C4' energy: -106.557 flat angles C4'-P-C4' energy: -118.793 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -57.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1065.027613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.027613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.027613 (E_RNA) where: Base-Base interactions energy: -553.763 where: short stacking energy: -367.017 Base-Backbone interact. energy: 1.013 local terms energy: -512.278265 where: bonds (distance) C4'-P energy: -126.403 bonds (distance) P-C4' energy: -114.476 flat angles C4'-P-C4' energy: -103.735 flat angles P-C4'-P energy: -75.851 tors. eta vs tors. theta energy: -91.813 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -815.937734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.937734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.937734 (E_RNA) where: Base-Base interactions energy: -368.034 where: short stacking energy: -265.316 Base-Backbone interact. energy: 3.931 local terms energy: -451.834318 where: bonds (distance) C4'-P energy: -112.314 bonds (distance) P-C4' energy: -119.904 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -60.376 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: 7 Temperature: 1.150000 Total energy: -764.248580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.248580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.248580 (E_RNA) where: Base-Base interactions energy: -363.310 where: short stacking energy: -221.278 Base-Backbone interact. energy: 3.419 local terms energy: -404.358180 where: bonds (distance) C4'-P energy: -99.851 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -111.026 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -16.930 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: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -697.417612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.417612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.417612 (E_RNA) where: Base-Base interactions energy: -307.427 where: short stacking energy: -219.886 Base-Backbone interact. energy: -1.530 local terms energy: -388.460818 where: bonds (distance) C4'-P energy: -101.368 bonds (distance) P-C4' energy: -94.470 flat angles C4'-P-C4' energy: -103.234 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -26.713 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: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -665.711821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.711821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.711821 (E_RNA) where: Base-Base interactions energy: -281.471 where: short stacking energy: -188.857 Base-Backbone interact. energy: -3.264 local terms energy: -380.976870 where: bonds (distance) C4'-P energy: -107.585 bonds (distance) P-C4' energy: -113.543 flat angles C4'-P-C4' energy: -90.638 flat angles P-C4'-P energy: -65.740 tors. eta vs tors. theta energy: -3.472 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: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -638.915399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.915399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.915399 (E_RNA) where: Base-Base interactions energy: -310.371 where: short stacking energy: -177.389 Base-Backbone interact. energy: -1.953 local terms energy: -326.590813 where: bonds (distance) C4'-P energy: -104.432 bonds (distance) P-C4' energy: -105.539 flat angles C4'-P-C4' energy: -77.978 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: 0.115 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: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -486.749722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.749722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.749722 (E_RNA) where: Base-Base interactions energy: -142.937 where: short stacking energy: -132.235 Base-Backbone interact. energy: -2.214 local terms energy: -341.598094 where: bonds (distance) C4'-P energy: -110.142 bonds (distance) P-C4' energy: -115.596 flat angles C4'-P-C4' energy: -81.802 flat angles P-C4'-P energy: -46.645 tors. eta vs tors. theta energy: 12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1346.317423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.317423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.317423 (E_RNA) where: Base-Base interactions energy: -745.516 where: short stacking energy: -479.158 Base-Backbone interact. energy: 0.761 local terms energy: -601.563211 where: bonds (distance) C4'-P energy: -107.846 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -90.311 tors. eta vs tors. theta energy: -125.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1113.892915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.892915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.892915 (E_RNA) where: Base-Base interactions energy: -561.904 where: short stacking energy: -393.002 Base-Backbone interact. energy: -1.426 local terms energy: -550.563858 where: bonds (distance) C4'-P energy: -126.922 bonds (distance) P-C4' energy: -118.313 flat angles C4'-P-C4' energy: -123.090 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -102.511 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: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1196.727201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.727201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.727201 (E_RNA) where: Base-Base interactions energy: -687.261 where: short stacking energy: -393.252 Base-Backbone interact. energy: -0.998 local terms energy: -508.467468 where: bonds (distance) C4'-P energy: -109.637 bonds (distance) P-C4' energy: -120.274 flat angles C4'-P-C4' energy: -125.022 flat angles P-C4'-P energy: -65.359 tors. eta vs tors. theta energy: -88.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -895.681749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.681749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.681749 (E_RNA) where: Base-Base interactions energy: -418.622 where: short stacking energy: -299.254 Base-Backbone interact. energy: -2.672 local terms energy: -474.387561 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -116.296 flat angles C4'-P-C4' energy: -101.531 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -62.975 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: 8 Temperature: 1.100000 Total energy: -809.872838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.872838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.872838 (E_RNA) where: Base-Base interactions energy: -373.489 where: short stacking energy: -239.250 Base-Backbone interact. energy: -1.765 local terms energy: -434.618891 where: bonds (distance) C4'-P energy: -108.328 bonds (distance) P-C4' energy: -119.823 flat angles C4'-P-C4' energy: -96.660 flat angles P-C4'-P energy: -72.301 tors. eta vs tors. theta energy: -37.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -778.291291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.291291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.291291 (E_RNA) where: Base-Base interactions energy: -371.654 where: short stacking energy: -260.184 Base-Backbone interact. energy: 2.698 local terms energy: -409.334826 where: bonds (distance) C4'-P energy: -104.793 bonds (distance) P-C4' energy: -119.877 flat angles C4'-P-C4' energy: -95.917 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -45.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -729.967324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.967324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.967324 (E_RNA) where: Base-Base interactions energy: -359.019 where: short stacking energy: -235.041 Base-Backbone interact. energy: -1.803 local terms energy: -369.144759 where: bonds (distance) C4'-P energy: -92.991 bonds (distance) P-C4' energy: -94.112 flat angles C4'-P-C4' energy: -113.896 flat angles P-C4'-P energy: -62.190 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -611.497171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.497171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.497171 (E_RNA) where: Base-Base interactions energy: -246.522 where: short stacking energy: -155.522 Base-Backbone interact. energy: -0.957 local terms energy: -364.018499 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -103.614 flat angles C4'-P-C4' energy: -94.615 flat angles P-C4'-P energy: -65.520 tors. eta vs tors. theta energy: 2.214 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: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -746.745773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.745773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.745773 (E_RNA) where: Base-Base interactions energy: -376.444 where: short stacking energy: -221.357 Base-Backbone interact. energy: -0.031 local terms energy: -370.270578 where: bonds (distance) C4'-P energy: -100.298 bonds (distance) P-C4' energy: -106.276 flat angles C4'-P-C4' energy: -85.726 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -474.779627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.779627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.779627 (E_RNA) where: Base-Base interactions energy: -175.997 where: short stacking energy: -163.277 Base-Backbone interact. energy: 1.771 local terms energy: -300.554015 where: bonds (distance) C4'-P energy: -81.007 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -69.046 flat angles P-C4'-P energy: -55.205 tors. eta vs tors. theta energy: -1.047 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: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1340.983611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.983611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.983611 (E_RNA) where: Base-Base interactions energy: -755.994 where: short stacking energy: -490.348 Base-Backbone interact. energy: -1.768 local terms energy: -583.222045 where: bonds (distance) C4'-P energy: -122.575 bonds (distance) P-C4' energy: -128.861 flat angles C4'-P-C4' energy: -138.169 flat angles P-C4'-P energy: -80.552 tors. eta vs tors. theta energy: -113.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1381.656371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.656371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.656371 (E_RNA) where: Base-Base interactions energy: -837.078 where: short stacking energy: -465.372 Base-Backbone interact. energy: -1.973 local terms energy: -542.605060 where: bonds (distance) C4'-P energy: -123.984 bonds (distance) P-C4' energy: -113.978 flat angles C4'-P-C4' energy: -130.199 flat angles P-C4'-P energy: -76.124 tors. eta vs tors. theta energy: -98.320 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: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1075.169890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.169890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.169890 (E_RNA) where: Base-Base interactions energy: -569.524 where: short stacking energy: -356.053 Base-Backbone interact. energy: 1.841 local terms energy: -507.486704 where: bonds (distance) C4'-P energy: -100.898 bonds (distance) P-C4' energy: -123.042 flat angles C4'-P-C4' energy: -124.404 flat angles P-C4'-P energy: -70.306 tors. eta vs tors. theta energy: -88.836 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: 9 Temperature: 1.050000 Total energy: -911.026751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.026751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.026751 (E_RNA) where: Base-Base interactions energy: -425.566 where: short stacking energy: -315.276 Base-Backbone interact. energy: -0.350 local terms energy: -485.111022 where: bonds (distance) C4'-P energy: -119.218 bonds (distance) P-C4' energy: -116.479 flat angles C4'-P-C4' energy: -120.984 flat angles P-C4'-P energy: -60.096 tors. eta vs tors. theta energy: -68.334 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -892.001666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.001666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.001666 (E_RNA) where: Base-Base interactions energy: -449.036 where: short stacking energy: -303.734 Base-Backbone interact. energy: -0.444 local terms energy: -442.521500 where: bonds (distance) C4'-P energy: -97.488 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -112.578 flat angles P-C4'-P energy: -63.751 tors. eta vs tors. theta energy: -44.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -813.550611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.550611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.550611 (E_RNA) where: Base-Base interactions energy: -399.469 where: short stacking energy: -215.239 Base-Backbone interact. energy: -3.880 local terms energy: -410.202151 where: bonds (distance) C4'-P energy: -98.759 bonds (distance) P-C4' energy: -124.601 flat angles C4'-P-C4' energy: -99.011 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: -20.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -786.912280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.912280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.912280 (E_RNA) where: Base-Base interactions energy: -380.725 where: short stacking energy: -234.175 Base-Backbone interact. energy: -2.991 local terms energy: -403.196401 where: bonds (distance) C4'-P energy: -106.071 bonds (distance) P-C4' energy: -122.209 flat angles C4'-P-C4' energy: -91.020 flat angles P-C4'-P energy: -63.727 tors. eta vs tors. theta energy: -20.171 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: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -761.632195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.632195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.632195 (E_RNA) where: Base-Base interactions energy: -376.101 where: short stacking energy: -217.690 Base-Backbone interact. energy: -3.721 local terms energy: -381.810164 where: bonds (distance) C4'-P energy: -102.906 bonds (distance) P-C4' energy: -119.862 flat angles C4'-P-C4' energy: -91.086 flat angles P-C4'-P energy: -41.718 tors. eta vs tors. theta energy: -26.238 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: 5 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -565.647117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.647117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.647117 (E_RNA) where: Base-Base interactions energy: -215.038 where: short stacking energy: -170.242 Base-Backbone interact. energy: 2.404 local terms energy: -353.013409 where: bonds (distance) C4'-P energy: -94.303 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -85.078 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -454.482350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.482350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.482350 (E_RNA) where: Base-Base interactions energy: -138.498 where: short stacking energy: -113.969 Base-Backbone interact. energy: -4.484 local terms energy: -311.499824 where: bonds (distance) C4'-P energy: -92.074 bonds (distance) P-C4' energy: -95.431 flat angles C4'-P-C4' energy: -79.497 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: 24.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1487.187105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.187105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.187105 (E_RNA) where: Base-Base interactions energy: -871.193 where: short stacking energy: -504.767 Base-Backbone interact. energy: -1.688 local terms energy: -614.306701 where: bonds (distance) C4'-P energy: -131.331 bonds (distance) P-C4' energy: -115.690 flat angles C4'-P-C4' energy: -147.534 flat angles P-C4'-P energy: -86.499 tors. eta vs tors. theta energy: -133.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1313.553296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.553296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.553296 (E_RNA) where: Base-Base interactions energy: -762.231 where: short stacking energy: -449.471 Base-Backbone interact. energy: -0.202 local terms energy: -551.119907 where: bonds (distance) C4'-P energy: -125.197 bonds (distance) P-C4' energy: -123.498 flat angles C4'-P-C4' energy: -126.650 flat angles P-C4'-P energy: -73.268 tors. eta vs tors. theta energy: -102.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1116.693722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.693722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.693722 (E_RNA) where: Base-Base interactions energy: -591.834 where: short stacking energy: -366.741 Base-Backbone interact. energy: -1.115 local terms energy: -523.744503 where: bonds (distance) C4'-P energy: -121.363 bonds (distance) P-C4' energy: -123.223 flat angles C4'-P-C4' energy: -125.659 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -72.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1046.317084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.317084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.317084 (E_RNA) where: Base-Base interactions energy: -528.845 where: short stacking energy: -356.776 Base-Backbone interact. energy: -0.247 local terms energy: -517.225499 where: bonds (distance) C4'-P energy: -115.670 bonds (distance) P-C4' energy: -116.388 flat angles C4'-P-C4' energy: -123.705 flat angles P-C4'-P energy: -81.059 tors. eta vs tors. theta energy: -80.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -856.891042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.891042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.891042 (E_RNA) where: Base-Base interactions energy: -427.140 where: short stacking energy: -280.988 Base-Backbone interact. energy: -0.981 local terms energy: -428.770593 where: bonds (distance) C4'-P energy: -112.643 bonds (distance) P-C4' energy: -116.181 flat angles C4'-P-C4' energy: -105.374 flat angles P-C4'-P energy: -69.207 tors. eta vs tors. theta energy: -25.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -895.070907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.070907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.070907 (E_RNA) where: Base-Base interactions energy: -474.698 where: short stacking energy: -300.507 Base-Backbone interact. energy: 1.863 local terms energy: -422.235358 where: bonds (distance) C4'-P energy: -113.790 bonds (distance) P-C4' energy: -95.102 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -63.218 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: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -797.760261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.760261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.760261 (E_RNA) where: Base-Base interactions energy: -405.682 where: short stacking energy: -240.083 Base-Backbone interact. energy: -0.769 local terms energy: -391.308848 where: bonds (distance) C4'-P energy: -104.923 bonds (distance) P-C4' energy: -117.670 flat angles C4'-P-C4' energy: -104.663 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -18.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -722.489321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.489321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.489321 (E_RNA) where: Base-Base interactions energy: -351.804 where: short stacking energy: -205.528 Base-Backbone interact. energy: -1.009 local terms energy: -369.676119 where: bonds (distance) C4'-P energy: -104.342 bonds (distance) P-C4' energy: -96.252 flat angles C4'-P-C4' energy: -95.464 flat angles P-C4'-P energy: -51.588 tors. eta vs tors. theta energy: -22.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -526.758766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.758766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.758766 (E_RNA) where: Base-Base interactions energy: -209.846 where: short stacking energy: -147.848 Base-Backbone interact. energy: 0.473 local terms energy: -317.386082 where: bonds (distance) C4'-P energy: -104.184 bonds (distance) P-C4' energy: -107.261 flat angles C4'-P-C4' energy: -81.375 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: 21.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -498.249965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.249965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.249965 (E_RNA) where: Base-Base interactions energy: -179.934 where: short stacking energy: -131.709 Base-Backbone interact. energy: -0.408 local terms energy: -317.907931 where: bonds (distance) C4'-P energy: -98.124 bonds (distance) P-C4' energy: -116.760 flat angles C4'-P-C4' energy: -97.894 flat angles P-C4'-P energy: -21.702 tors. eta vs tors. theta energy: 16.572 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: 6 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1521.668609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.668609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.668609 (E_RNA) where: Base-Base interactions energy: -939.000 where: short stacking energy: -496.564 Base-Backbone interact. energy: -2.353 local terms energy: -580.315257 where: bonds (distance) C4'-P energy: -123.592 bonds (distance) P-C4' energy: -124.672 flat angles C4'-P-C4' energy: -119.190 flat angles P-C4'-P energy: -86.205 tors. eta vs tors. theta energy: -126.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1325.339642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.339642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.339642 (E_RNA) where: Base-Base interactions energy: -769.205 where: short stacking energy: -463.073 Base-Backbone interact. energy: 0.745 local terms energy: -556.879594 where: bonds (distance) C4'-P energy: -119.889 bonds (distance) P-C4' energy: -122.336 flat angles C4'-P-C4' energy: -132.213 flat angles P-C4'-P energy: -69.652 tors. eta vs tors. theta energy: -112.790 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1121.993957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.993957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.993957 (E_RNA) where: Base-Base interactions energy: -620.205 where: short stacking energy: -347.977 Base-Backbone interact. energy: -2.014 local terms energy: -499.775140 where: bonds (distance) C4'-P energy: -115.128 bonds (distance) P-C4' energy: -121.985 flat angles C4'-P-C4' energy: -121.727 flat angles P-C4'-P energy: -67.341 tors. eta vs tors. theta energy: -73.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1142.617976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.617976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.617976 (E_RNA) where: Base-Base interactions energy: -630.894 where: short stacking energy: -386.469 Base-Backbone interact. energy: -0.940 local terms energy: -510.784932 where: bonds (distance) C4'-P energy: -108.325 bonds (distance) P-C4' energy: -108.773 flat angles C4'-P-C4' energy: -122.730 flat angles P-C4'-P energy: -71.515 tors. eta vs tors. theta energy: -99.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -933.805084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.805084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.805084 (E_RNA) where: Base-Base interactions energy: -494.523 where: short stacking energy: -281.904 Base-Backbone interact. energy: -2.014 local terms energy: -437.268072 where: bonds (distance) C4'-P energy: -110.277 bonds (distance) P-C4' energy: -112.198 flat angles C4'-P-C4' energy: -99.706 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -56.567 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: 4 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -888.860552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.860552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.860552 (E_RNA) where: Base-Base interactions energy: -479.661 where: short stacking energy: -273.591 Base-Backbone interact. energy: -1.041 local terms energy: -408.158541 where: bonds (distance) C4'-P energy: -102.633 bonds (distance) P-C4' energy: -102.563 flat angles C4'-P-C4' energy: -112.472 flat angles P-C4'-P energy: -42.185 tors. eta vs tors. theta energy: -48.305 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: 11 Temperature: 1.200000 Total energy: -778.807728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.807728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.807728 (E_RNA) where: Base-Base interactions energy: -386.057 where: short stacking energy: -221.557 Base-Backbone interact. energy: 1.972 local terms energy: -394.722423 where: bonds (distance) C4'-P energy: -111.411 bonds (distance) P-C4' energy: -107.045 flat angles C4'-P-C4' energy: -103.956 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -11.809 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: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -710.512344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.512344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.512344 (E_RNA) where: Base-Base interactions energy: -327.286 where: short stacking energy: -170.154 Base-Backbone interact. energy: -0.148 local terms energy: -383.079062 where: bonds (distance) C4'-P energy: -97.324 bonds (distance) P-C4' energy: -117.504 flat angles C4'-P-C4' energy: -101.291 flat angles P-C4'-P energy: -78.828 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: 9, replica: 5 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -511.162469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.162469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.162469 (E_RNA) where: Base-Base interactions energy: -173.230 where: short stacking energy: -131.471 Base-Backbone interact. energy: 3.112 local terms energy: -341.043846 where: bonds (distance) C4'-P energy: -104.853 bonds (distance) P-C4' energy: -118.649 flat angles C4'-P-C4' energy: -61.101 flat angles P-C4'-P energy: -64.528 tors. eta vs tors. theta energy: 8.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -466.813392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.813392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.813392 (E_RNA) where: Base-Base interactions energy: -166.003 where: short stacking energy: -111.848 Base-Backbone interact. energy: 3.445 local terms energy: -304.255077 where: bonds (distance) C4'-P energy: -79.015 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -40.772 tors. eta vs tors. theta energy: 6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1511.671793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.671793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.671793 (E_RNA) where: Base-Base interactions energy: -916.033 where: short stacking energy: -451.824 Base-Backbone interact. energy: -1.987 local terms energy: -593.651389 where: bonds (distance) C4'-P energy: -120.370 bonds (distance) P-C4' energy: -137.123 flat angles C4'-P-C4' energy: -142.627 flat angles P-C4'-P energy: -69.960 tors. eta vs tors. theta energy: -123.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1368.457725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.457725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.457725 (E_RNA) where: Base-Base interactions energy: -775.590 where: short stacking energy: -454.709 Base-Backbone interact. energy: -1.061 local terms energy: -591.806597 where: bonds (distance) C4'-P energy: -119.567 bonds (distance) P-C4' energy: -133.171 flat angles C4'-P-C4' energy: -131.037 flat angles P-C4'-P energy: -71.655 tors. eta vs tors. theta energy: -136.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1203.472673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.472673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.472673 (E_RNA) where: Base-Base interactions energy: -653.915 where: short stacking energy: -390.690 Base-Backbone interact. energy: -0.610 local terms energy: -548.947281 where: bonds (distance) C4'-P energy: -111.759 bonds (distance) P-C4' energy: -127.933 flat angles C4'-P-C4' energy: -123.385 flat angles P-C4'-P energy: -85.839 tors. eta vs tors. theta energy: -100.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1063.600444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.600444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.600444 (E_RNA) where: Base-Base interactions energy: -541.954 where: short stacking energy: -328.029 Base-Backbone interact. energy: -1.315 local terms energy: -520.331329 where: bonds (distance) C4'-P energy: -121.712 bonds (distance) P-C4' energy: -115.799 flat angles C4'-P-C4' energy: -132.863 flat angles P-C4'-P energy: -72.379 tors. eta vs tors. theta energy: -77.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -967.494922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.494922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.494922 (E_RNA) where: Base-Base interactions energy: -531.476 where: short stacking energy: -286.037 Base-Backbone interact. energy: -1.594 local terms energy: -434.425711 where: bonds (distance) C4'-P energy: -101.400 bonds (distance) P-C4' energy: -113.919 flat angles C4'-P-C4' energy: -109.494 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -47.519 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: 12 Temperature: 1.150000 Total energy: -847.863419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.863419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.863419 (E_RNA) where: Base-Base interactions energy: -446.895 where: short stacking energy: -266.240 Base-Backbone interact. energy: 1.787 local terms energy: -402.755653 where: bonds (distance) C4'-P energy: -105.608 bonds (distance) P-C4' energy: -114.913 flat angles C4'-P-C4' energy: -108.702 flat angles P-C4'-P energy: -57.116 tors. eta vs tors. theta energy: -16.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -831.461834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.461834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.461834 (E_RNA) where: Base-Base interactions energy: -454.658 where: short stacking energy: -227.778 Base-Backbone interact. energy: 7.184 local terms energy: -383.988010 where: bonds (distance) C4'-P energy: -109.435 bonds (distance) P-C4' energy: -113.378 flat angles C4'-P-C4' energy: -107.586 flat angles P-C4'-P energy: -39.448 tors. eta vs tors. theta energy: -14.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -741.673867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.673867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.673867 (E_RNA) where: Base-Base interactions energy: -373.953 where: short stacking energy: -206.069 Base-Backbone interact. energy: 3.876 local terms energy: -371.596403 where: bonds (distance) C4'-P energy: -88.231 bonds (distance) P-C4' energy: -105.043 flat angles C4'-P-C4' energy: -104.865 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -22.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -520.857197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.857197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.857197 (E_RNA) where: Base-Base interactions energy: -197.702 where: short stacking energy: -137.963 Base-Backbone interact. energy: -1.580 local terms energy: -321.575805 where: bonds (distance) C4'-P energy: -104.487 bonds (distance) P-C4' energy: -115.669 flat angles C4'-P-C4' energy: -74.711 flat angles P-C4'-P energy: -59.707 tors. eta vs tors. theta energy: 32.998 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: 5 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -486.703569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.703569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.703569 (E_RNA) where: Base-Base interactions energy: -181.403 where: short stacking energy: -154.404 Base-Backbone interact. energy: -5.493 local terms energy: -299.807405 where: bonds (distance) C4'-P energy: -88.540 bonds (distance) P-C4' energy: -107.092 flat angles C4'-P-C4' energy: -59.813 flat angles P-C4'-P energy: -49.135 tors. eta vs tors. theta energy: 4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1598.389325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.389325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.389325 (E_RNA) where: Base-Base interactions energy: -1004.215 where: short stacking energy: -505.248 Base-Backbone interact. energy: -1.042 local terms energy: -593.132393 where: bonds (distance) C4'-P energy: -127.731 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -130.250 flat angles P-C4'-P energy: -81.119 tors. eta vs tors. theta energy: -135.360 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: 2, replica: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1390.959441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.959441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.959441 (E_RNA) where: Base-Base interactions energy: -845.133 where: short stacking energy: -453.166 Base-Backbone interact. energy: -3.721 local terms energy: -542.105623 where: bonds (distance) C4'-P energy: -115.545 bonds (distance) P-C4' energy: -122.637 flat angles C4'-P-C4' energy: -118.465 flat angles P-C4'-P energy: -70.990 tors. eta vs tors. theta energy: -114.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1228.174588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.174588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.174588 (E_RNA) where: Base-Base interactions energy: -699.779 where: short stacking energy: -414.732 Base-Backbone interact. energy: 0.634 local terms energy: -529.029536 where: bonds (distance) C4'-P energy: -106.105 bonds (distance) P-C4' energy: -115.171 flat angles C4'-P-C4' energy: -109.671 flat angles P-C4'-P energy: -92.823 tors. eta vs tors. theta energy: -105.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1048.120371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.120371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.120371 (E_RNA) where: Base-Base interactions energy: -554.858 where: short stacking energy: -330.518 Base-Backbone interact. energy: 0.506 local terms energy: -493.767716 where: bonds (distance) C4'-P energy: -108.131 bonds (distance) P-C4' energy: -117.677 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -86.315 tors. eta vs tors. theta energy: -73.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1040.632468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.632468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.632468 (E_RNA) where: Base-Base interactions energy: -602.619 where: short stacking energy: -309.239 Base-Backbone interact. energy: -2.836 local terms energy: -435.177161 where: bonds (distance) C4'-P energy: -103.809 bonds (distance) P-C4' energy: -110.628 flat angles C4'-P-C4' energy: -106.890 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -58.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1094.010785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.010785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.010785 (E_RNA) where: Base-Base interactions energy: -664.852 where: short stacking energy: -295.322 Base-Backbone interact. energy: 0.820 local terms energy: -429.979344 where: bonds (distance) C4'-P energy: -104.536 bonds (distance) P-C4' energy: -108.029 flat angles C4'-P-C4' energy: -107.020 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -24.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -859.549111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.549111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.549111 (E_RNA) where: Base-Base interactions energy: -446.091 where: short stacking energy: -232.662 Base-Backbone interact. energy: 2.702 local terms energy: -416.159840 where: bonds (distance) C4'-P energy: -95.462 bonds (distance) P-C4' energy: -119.904 flat angles C4'-P-C4' energy: -86.515 flat angles P-C4'-P energy: -67.919 tors. eta vs tors. theta energy: -46.360 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: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -744.421896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.421896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.421896 (E_RNA) where: Base-Base interactions energy: -381.287 where: short stacking energy: -211.688 Base-Backbone interact. energy: 1.792 local terms energy: -364.927833 where: bonds (distance) C4'-P energy: -93.963 bonds (distance) P-C4' energy: -113.661 flat angles C4'-P-C4' energy: -79.656 flat angles P-C4'-P energy: -47.212 tors. eta vs tors. theta energy: -30.435 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: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -515.394730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.394730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.394730 (E_RNA) where: Base-Base interactions energy: -186.514 where: short stacking energy: -144.490 Base-Backbone interact. energy: 4.710 local terms energy: -333.590693 where: bonds (distance) C4'-P energy: -89.434 bonds (distance) P-C4' energy: -110.118 flat angles C4'-P-C4' energy: -94.436 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: 16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -468.544747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.544747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.544747 (E_RNA) where: Base-Base interactions energy: -187.720 where: short stacking energy: -135.283 Base-Backbone interact. energy: -3.670 local terms energy: -277.154481 where: bonds (distance) C4'-P energy: -85.567 bonds (distance) P-C4' energy: -87.999 flat angles C4'-P-C4' energy: -77.360 flat angles P-C4'-P energy: -52.423 tors. eta vs tors. theta energy: 26.195 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: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1579.346052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.346052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.346052 (E_RNA) where: Base-Base interactions energy: -980.391 where: short stacking energy: -488.236 Base-Backbone interact. energy: -2.879 local terms energy: -596.075924 where: bonds (distance) C4'-P energy: -120.513 bonds (distance) P-C4' energy: -125.525 flat angles C4'-P-C4' energy: -134.012 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -130.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1426.521001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.521001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.521001 (E_RNA) where: Base-Base interactions energy: -848.459 where: short stacking energy: -455.214 Base-Backbone interact. energy: -2.173 local terms energy: -575.889388 where: bonds (distance) C4'-P energy: -125.983 bonds (distance) P-C4' energy: -121.109 flat angles C4'-P-C4' energy: -122.919 flat angles P-C4'-P energy: -85.920 tors. eta vs tors. theta energy: -119.958 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: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1319.266779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.266779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.266779 (E_RNA) where: Base-Base interactions energy: -759.239 where: short stacking energy: -415.394 Base-Backbone interact. energy: -0.000 local terms energy: -560.027312 where: bonds (distance) C4'-P energy: -114.529 bonds (distance) P-C4' energy: -106.480 flat angles C4'-P-C4' energy: -130.507 flat angles P-C4'-P energy: -86.990 tors. eta vs tors. theta energy: -121.521 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: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1047.506835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.506835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.506835 (E_RNA) where: Base-Base interactions energy: -550.994 where: short stacking energy: -344.674 Base-Backbone interact. energy: -2.094 local terms energy: -494.418571 where: bonds (distance) C4'-P energy: -112.822 bonds (distance) P-C4' energy: -109.983 flat angles C4'-P-C4' energy: -130.605 flat angles P-C4'-P energy: -71.119 tors. eta vs tors. theta energy: -69.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1303.606865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.606865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.606865 (E_RNA) where: Base-Base interactions energy: -823.221 where: short stacking energy: -368.007 Base-Backbone interact. energy: -2.917 local terms energy: -477.469035 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -109.691 flat angles C4'-P-C4' energy: -119.666 flat angles P-C4'-P energy: -67.324 tors. eta vs tors. theta energy: -70.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1019.357907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.357907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.357907 (E_RNA) where: Base-Base interactions energy: -564.074 where: short stacking energy: -310.479 Base-Backbone interact. energy: -1.281 local terms energy: -454.002483 where: bonds (distance) C4'-P energy: -118.833 bonds (distance) P-C4' energy: -110.816 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -61.406 tors. eta vs tors. theta energy: -66.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -881.172123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.172123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.172123 (E_RNA) where: Base-Base interactions energy: -439.513 where: short stacking energy: -263.944 Base-Backbone interact. energy: -0.368 local terms energy: -441.290663 where: bonds (distance) C4'-P energy: -111.149 bonds (distance) P-C4' energy: -105.001 flat angles C4'-P-C4' energy: -120.917 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -45.660 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: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -757.749425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.749425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.749425 (E_RNA) where: Base-Base interactions energy: -400.376 where: short stacking energy: -232.212 Base-Backbone interact. energy: 2.185 local terms energy: -359.558910 where: bonds (distance) C4'-P energy: -91.464 bonds (distance) P-C4' energy: -116.225 flat angles C4'-P-C4' energy: -88.684 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -11.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -501.551553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.551553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.551553 (E_RNA) where: Base-Base interactions energy: -188.303 where: short stacking energy: -118.947 Base-Backbone interact. energy: 1.782 local terms energy: -315.030642 where: bonds (distance) C4'-P energy: -98.617 bonds (distance) P-C4' energy: -102.509 flat angles C4'-P-C4' energy: -76.565 flat angles P-C4'-P energy: -59.942 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: 10, replica: 5 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -452.691712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.691712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.691712 (E_RNA) where: Base-Base interactions energy: -170.758 where: short stacking energy: -97.218 Base-Backbone interact. energy: 0.594 local terms energy: -282.527594 where: bonds (distance) C4'-P energy: -104.889 bonds (distance) P-C4' energy: -100.577 flat angles C4'-P-C4' energy: -68.808 flat angles P-C4'-P energy: -45.153 tors. eta vs tors. theta energy: 36.900 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: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1592.936962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.936962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.936962 (E_RNA) where: Base-Base interactions energy: -998.510 where: short stacking energy: -484.745 Base-Backbone interact. energy: -3.474 local terms energy: -590.952782 where: bonds (distance) C4'-P energy: -122.470 bonds (distance) P-C4' energy: -124.767 flat angles C4'-P-C4' energy: -128.544 flat angles P-C4'-P energy: -93.061 tors. eta vs tors. theta energy: -122.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1476.466862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.466862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.466862 (E_RNA) where: Base-Base interactions energy: -921.149 where: short stacking energy: -481.760 Base-Backbone interact. energy: -3.127 local terms energy: -552.190976 where: bonds (distance) C4'-P energy: -100.611 bonds (distance) P-C4' energy: -130.384 flat angles C4'-P-C4' energy: -124.433 flat angles P-C4'-P energy: -83.003 tors. eta vs tors. theta energy: -113.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1340.723343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.723343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.723343 (E_RNA) where: Base-Base interactions energy: -787.185 where: short stacking energy: -417.035 Base-Backbone interact. energy: 1.250 local terms energy: -554.788819 where: bonds (distance) C4'-P energy: -111.392 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -133.230 flat angles P-C4'-P energy: -69.544 tors. eta vs tors. theta energy: -117.377 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: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1455.333663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.333663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.333663 (E_RNA) where: Base-Base interactions energy: -911.554 where: short stacking energy: -409.738 Base-Backbone interact. energy: -4.543 local terms energy: -539.236644 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -124.858 flat angles C4'-P-C4' energy: -121.891 flat angles P-C4'-P energy: -74.640 tors. eta vs tors. theta energy: -104.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -935.126776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.126776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.126776 (E_RNA) where: Base-Base interactions energy: -517.534 where: short stacking energy: -305.898 Base-Backbone interact. energy: -0.012 local terms energy: -417.581142 where: bonds (distance) C4'-P energy: -106.456 bonds (distance) P-C4' energy: -111.254 flat angles C4'-P-C4' energy: -103.993 flat angles P-C4'-P energy: -60.405 tors. eta vs tors. theta energy: -35.473 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: 4 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -962.004814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.004814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.004814 (E_RNA) where: Base-Base interactions energy: -497.882 where: short stacking energy: -290.278 Base-Backbone interact. energy: -1.464 local terms energy: -462.658216 where: bonds (distance) C4'-P energy: -98.633 bonds (distance) P-C4' energy: -118.481 flat angles C4'-P-C4' energy: -101.249 flat angles P-C4'-P energy: -66.279 tors. eta vs tors. theta energy: -78.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -818.526561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.526561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.526561 (E_RNA) where: Base-Base interactions energy: -433.871 where: short stacking energy: -256.351 Base-Backbone interact. energy: -0.552 local terms energy: -384.103238 where: bonds (distance) C4'-P energy: -107.202 bonds (distance) P-C4' energy: -108.524 flat angles C4'-P-C4' energy: -90.425 flat angles P-C4'-P energy: -47.752 tors. eta vs tors. theta energy: -30.200 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -802.899914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.899914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.899914 (E_RNA) where: Base-Base interactions energy: -424.692 where: short stacking energy: -218.478 Base-Backbone interact. energy: 0.457 local terms energy: -378.664894 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -102.577 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -56.328 tors. eta vs tors. theta energy: -19.747 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: 9 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -505.111655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.111655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.111655 (E_RNA) where: Base-Base interactions energy: -195.817 where: short stacking energy: -140.886 Base-Backbone interact. energy: 0.727 local terms energy: -310.021690 where: bonds (distance) C4'-P energy: -78.796 bonds (distance) P-C4' energy: -109.383 flat angles C4'-P-C4' energy: -81.376 flat angles P-C4'-P energy: -54.504 tors. eta vs tors. theta energy: 14.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -462.744226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.744226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.744226 (E_RNA) where: Base-Base interactions energy: -165.141 where: short stacking energy: -134.640 Base-Backbone interact. energy: 5.208 local terms energy: -302.811100 where: bonds (distance) C4'-P energy: -85.245 bonds (distance) P-C4' energy: -94.461 flat angles C4'-P-C4' energy: -88.412 flat angles P-C4'-P energy: -58.873 tors. eta vs tors. theta energy: 24.181 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: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1589.235717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.235717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.235717 (E_RNA) where: Base-Base interactions energy: -1024.883 where: short stacking energy: -503.721 Base-Backbone interact. energy: -1.281 local terms energy: -563.071217 where: bonds (distance) C4'-P energy: -125.014 bonds (distance) P-C4' energy: -106.405 flat angles C4'-P-C4' energy: -120.772 flat angles P-C4'-P energy: -80.770 tors. eta vs tors. theta energy: -130.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1473.855510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.855510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.855510 (E_RNA) where: Base-Base interactions energy: -873.903 where: short stacking energy: -453.791 Base-Backbone interact. energy: -4.097 local terms energy: -595.856022 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -128.686 flat angles C4'-P-C4' energy: -126.680 flat angles P-C4'-P energy: -88.224 tors. eta vs tors. theta energy: -123.963 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: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1526.040365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.040365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.040365 (E_RNA) where: Base-Base interactions energy: -992.855 where: short stacking energy: -451.603 Base-Backbone interact. energy: -1.990 local terms energy: -531.195304 where: bonds (distance) C4'-P energy: -109.549 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -118.955 flat angles P-C4'-P energy: -78.544 tors. eta vs tors. theta energy: -109.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1236.545648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.545648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.545648 (E_RNA) where: Base-Base interactions energy: -724.261 where: short stacking energy: -373.301 Base-Backbone interact. energy: -1.985 local terms energy: -510.299555 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -110.893 flat angles C4'-P-C4' energy: -130.096 flat angles P-C4'-P energy: -63.621 tors. eta vs tors. theta energy: -93.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -994.662351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.662351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.662351 (E_RNA) where: Base-Base interactions energy: -507.237 where: short stacking energy: -308.077 Base-Backbone interact. energy: -2.774 local terms energy: -484.651284 where: bonds (distance) C4'-P energy: -100.346 bonds (distance) P-C4' energy: -119.925 flat angles C4'-P-C4' energy: -122.636 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -71.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -964.694507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.694507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.694507 (E_RNA) where: Base-Base interactions energy: -528.868 where: short stacking energy: -266.835 Base-Backbone interact. energy: -1.347 local terms energy: -434.479679 where: bonds (distance) C4'-P energy: -107.257 bonds (distance) P-C4' energy: -99.973 flat angles C4'-P-C4' energy: -115.292 flat angles P-C4'-P energy: -63.124 tors. eta vs tors. theta energy: -48.833 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: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -861.928221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.928221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.928221 (E_RNA) where: Base-Base interactions energy: -470.854 where: short stacking energy: -241.868 Base-Backbone interact. energy: 2.280 local terms energy: -393.354363 where: bonds (distance) C4'-P energy: -109.323 bonds (distance) P-C4' energy: -116.223 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -54.676 tors. eta vs tors. theta energy: -16.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -784.068592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.068592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.068592 (E_RNA) where: Base-Base interactions energy: -401.585 where: short stacking energy: -200.359 Base-Backbone interact. energy: -1.299 local terms energy: -381.184263 where: bonds (distance) C4'-P energy: -100.362 bonds (distance) P-C4' energy: -106.494 flat angles C4'-P-C4' energy: -98.129 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -8.084 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: 5 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -512.141088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.141088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.141088 (E_RNA) where: Base-Base interactions energy: -211.026 where: short stacking energy: -130.500 Base-Backbone interact. energy: -0.023 local terms energy: -301.092050 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -106.132 flat angles C4'-P-C4' energy: -85.026 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: 16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -482.330831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.330831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.330831 (E_RNA) where: Base-Base interactions energy: -172.484 where: short stacking energy: -122.975 Base-Backbone interact. energy: 1.671 local terms energy: -311.517196 where: bonds (distance) C4'-P energy: -103.500 bonds (distance) P-C4' energy: -103.277 flat angles C4'-P-C4' energy: -69.283 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: 16.913 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: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1599.931999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.931999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.931999 (E_RNA) where: Base-Base interactions energy: -1021.928 where: short stacking energy: -529.685 Base-Backbone interact. energy: -1.798 local terms energy: -576.206401 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -127.400 flat angles C4'-P-C4' energy: -133.682 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: -134.267 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: 10 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1697.428538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.428538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.428538 (E_RNA) where: Base-Base interactions energy: -1130.948 where: short stacking energy: -531.646 Base-Backbone interact. energy: -4.777 local terms energy: -561.702996 where: bonds (distance) C4'-P energy: -112.092 bonds (distance) P-C4' energy: -112.675 flat angles C4'-P-C4' energy: -126.597 flat angles P-C4'-P energy: -68.758 tors. eta vs tors. theta energy: -141.582 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: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1419.919695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.919695 (E_RNA) where: Base-Base interactions energy: -872.035 where: short stacking energy: -434.413 Base-Backbone interact. energy: -1.943 local terms energy: -545.941135 where: bonds (distance) C4'-P energy: -117.124 bonds (distance) P-C4' energy: -125.305 flat angles C4'-P-C4' energy: -113.546 flat angles P-C4'-P energy: -81.488 tors. eta vs tors. theta energy: -108.478 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: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1292.829317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.829317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.829317 (E_RNA) where: Base-Base interactions energy: -744.694 where: short stacking energy: -396.877 Base-Backbone interact. energy: -2.229 local terms energy: -545.906491 where: bonds (distance) C4'-P energy: -109.621 bonds (distance) P-C4' energy: -121.658 flat angles C4'-P-C4' energy: -131.241 flat angles P-C4'-P energy: -74.293 tors. eta vs tors. theta energy: -109.094 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: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -986.054280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.054280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.054280 (E_RNA) where: Base-Base interactions energy: -537.254 where: short stacking energy: -317.884 Base-Backbone interact. energy: -0.250 local terms energy: -448.549657 where: bonds (distance) C4'-P energy: -93.024 bonds (distance) P-C4' energy: -114.647 flat angles C4'-P-C4' energy: -108.458 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -68.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1010.553347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.553347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.553347 (E_RNA) where: Base-Base interactions energy: -560.537 where: short stacking energy: -299.442 Base-Backbone interact. energy: -2.698 local terms energy: -447.318463 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -115.289 flat angles C4'-P-C4' energy: -109.519 flat angles P-C4'-P energy: -71.023 tors. eta vs tors. theta energy: -54.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -961.041395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.041395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.041395 (E_RNA) where: Base-Base interactions energy: -550.875 where: short stacking energy: -284.473 Base-Backbone interact. energy: -0.936 local terms energy: -409.230412 where: bonds (distance) C4'-P energy: -102.510 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -87.910 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -57.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -888.860850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.860850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.860850 (E_RNA) where: Base-Base interactions energy: -489.601 where: short stacking energy: -234.460 Base-Backbone interact. energy: -4.247 local terms energy: -395.013456 where: bonds (distance) C4'-P energy: -98.760 bonds (distance) P-C4' energy: -109.138 flat angles C4'-P-C4' energy: -98.899 flat angles P-C4'-P energy: -52.773 tors. eta vs tors. theta energy: -35.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -538.126221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.126221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.126221 (E_RNA) where: Base-Base interactions energy: -235.947 where: short stacking energy: -170.660 Base-Backbone interact. energy: -0.327 local terms energy: -301.852323 where: bonds (distance) C4'-P energy: -83.796 bonds (distance) P-C4' energy: -100.389 flat angles C4'-P-C4' energy: -104.945 flat angles P-C4'-P energy: -38.954 tors. eta vs tors. theta energy: 26.232 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: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -455.870521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.870521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.870521 (E_RNA) where: Base-Base interactions energy: -115.905 where: short stacking energy: -100.926 Base-Backbone interact. energy: 2.471 local terms energy: -342.435839 where: bonds (distance) C4'-P energy: -114.727 bonds (distance) P-C4' energy: -118.162 flat angles C4'-P-C4' energy: -82.053 flat angles P-C4'-P energy: -50.363 tors. eta vs tors. theta energy: 22.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1751.868475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.868475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.868475 (E_RNA) where: Base-Base interactions energy: -1128.839 where: short stacking energy: -513.663 Base-Backbone interact. energy: -2.601 local terms energy: -620.428453 where: bonds (distance) C4'-P energy: -105.964 bonds (distance) P-C4' energy: -132.210 flat angles C4'-P-C4' energy: -145.065 flat angles P-C4'-P energy: -100.963 tors. eta vs tors. theta energy: -136.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1588.067210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.067210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.067210 (E_RNA) where: Base-Base interactions energy: -997.573 where: short stacking energy: -482.905 Base-Backbone interact. energy: 0.787 local terms energy: -591.281301 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -130.457 flat angles C4'-P-C4' energy: -130.880 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -119.807 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: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1460.370376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.370376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.370376 (E_RNA) where: Base-Base interactions energy: -930.479 where: short stacking energy: -435.908 Base-Backbone interact. energy: -3.581 local terms energy: -526.309914 where: bonds (distance) C4'-P energy: -102.663 bonds (distance) P-C4' energy: -127.468 flat angles C4'-P-C4' energy: -113.828 flat angles P-C4'-P energy: -86.043 tors. eta vs tors. theta energy: -96.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1330.792998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.792998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.792998 (E_RNA) where: Base-Base interactions energy: -788.337 where: short stacking energy: -394.704 Base-Backbone interact. energy: -1.950 local terms energy: -540.505276 where: bonds (distance) C4'-P energy: -119.500 bonds (distance) P-C4' energy: -117.430 flat angles C4'-P-C4' energy: -122.329 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -112.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1083.910463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.910463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.910463 (E_RNA) where: Base-Base interactions energy: -585.717 where: short stacking energy: -314.985 Base-Backbone interact. energy: -0.419 local terms energy: -497.774910 where: bonds (distance) C4'-P energy: -124.730 bonds (distance) P-C4' energy: -120.664 flat angles C4'-P-C4' energy: -110.324 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -66.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -924.520531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.520531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.520531 (E_RNA) where: Base-Base interactions energy: -496.668 where: short stacking energy: -271.329 Base-Backbone interact. energy: 3.430 local terms energy: -431.282377 where: bonds (distance) C4'-P energy: -102.426 bonds (distance) P-C4' energy: -107.533 flat angles C4'-P-C4' energy: -104.682 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -49.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -910.081480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.081480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.081480 (E_RNA) where: Base-Base interactions energy: -497.063 where: short stacking energy: -252.640 Base-Backbone interact. energy: 1.098 local terms energy: -414.117205 where: bonds (distance) C4'-P energy: -100.400 bonds (distance) P-C4' energy: -110.178 flat angles C4'-P-C4' energy: -103.470 flat angles P-C4'-P energy: -58.436 tors. eta vs tors. theta energy: -41.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -844.522304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.522304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.522304 (E_RNA) where: Base-Base interactions energy: -476.699 where: short stacking energy: -253.088 Base-Backbone interact. energy: -2.728 local terms energy: -365.095116 where: bonds (distance) C4'-P energy: -86.486 bonds (distance) P-C4' energy: -110.875 flat angles C4'-P-C4' energy: -72.185 flat angles P-C4'-P energy: -72.118 tors. eta vs tors. theta energy: -23.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -536.863253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.863253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.863253 (E_RNA) where: Base-Base interactions energy: -204.262 where: short stacking energy: -153.232 Base-Backbone interact. energy: 3.107 local terms energy: -335.708602 where: bonds (distance) C4'-P energy: -99.824 bonds (distance) P-C4' energy: -108.370 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: 13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -488.534429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.534429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.534429 (E_RNA) where: Base-Base interactions energy: -156.444 where: short stacking energy: -112.290 Base-Backbone interact. energy: -0.385 local terms energy: -331.705216 where: bonds (distance) C4'-P energy: -87.404 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -95.128 flat angles P-C4'-P energy: -63.465 tors. eta vs tors. theta energy: 15.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1798.104777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.104777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.104777 (E_RNA) where: Base-Base interactions energy: -1159.107 where: short stacking energy: -532.755 Base-Backbone interact. energy: -1.450 local terms energy: -637.547242 where: bonds (distance) C4'-P energy: -135.040 bonds (distance) P-C4' energy: -133.678 flat angles C4'-P-C4' energy: -141.328 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -142.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1587.799018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.799018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.799018 (E_RNA) where: Base-Base interactions energy: -1013.001 where: short stacking energy: -482.948 Base-Backbone interact. energy: -0.209 local terms energy: -574.588668 where: bonds (distance) C4'-P energy: -111.224 bonds (distance) P-C4' energy: -125.873 flat angles C4'-P-C4' energy: -136.412 flat angles P-C4'-P energy: -85.691 tors. eta vs tors. theta energy: -115.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1481.154288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.154288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.154288 (E_RNA) where: Base-Base interactions energy: -938.175 where: short stacking energy: -423.267 Base-Backbone interact. energy: -1.455 local terms energy: -541.524342 where: bonds (distance) C4'-P energy: -111.157 bonds (distance) P-C4' energy: -119.069 flat angles C4'-P-C4' energy: -122.041 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -103.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1353.790400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.790400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.790400 (E_RNA) where: Base-Base interactions energy: -828.755 where: short stacking energy: -380.078 Base-Backbone interact. energy: -1.361 local terms energy: -523.675089 where: bonds (distance) C4'-P energy: -132.144 bonds (distance) P-C4' energy: -128.632 flat angles C4'-P-C4' energy: -95.934 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -93.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1157.493806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.493806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.493806 (E_RNA) where: Base-Base interactions energy: -649.476 where: short stacking energy: -357.412 Base-Backbone interact. energy: -2.700 local terms energy: -505.317892 where: bonds (distance) C4'-P energy: -107.803 bonds (distance) P-C4' energy: -118.239 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -77.246 tors. eta vs tors. theta energy: -81.863 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: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -971.679547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.679547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.679547 (E_RNA) where: Base-Base interactions energy: -553.304 where: short stacking energy: -278.535 Base-Backbone interact. energy: 3.419 local terms energy: -421.794519 where: bonds (distance) C4'-P energy: -108.076 bonds (distance) P-C4' energy: -109.501 flat angles C4'-P-C4' energy: -97.435 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: -35.749 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: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -847.627849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.627849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.627849 (E_RNA) where: Base-Base interactions energy: -428.025 where: short stacking energy: -256.862 Base-Backbone interact. energy: -1.947 local terms energy: -417.655777 where: bonds (distance) C4'-P energy: -104.345 bonds (distance) P-C4' energy: -110.471 flat angles C4'-P-C4' energy: -104.234 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -27.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -823.987892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.987892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.987892 (E_RNA) where: Base-Base interactions energy: -421.378 where: short stacking energy: -244.919 Base-Backbone interact. energy: 2.426 local terms energy: -405.036711 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -108.670 flat angles C4'-P-C4' energy: -92.417 flat angles P-C4'-P energy: -75.735 tors. eta vs tors. theta energy: -28.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -493.486821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.486821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.486821 (E_RNA) where: Base-Base interactions energy: -170.581 where: short stacking energy: -138.391 Base-Backbone interact. energy: 0.888 local terms energy: -323.793746 where: bonds (distance) C4'-P energy: -100.037 bonds (distance) P-C4' energy: -111.423 flat angles C4'-P-C4' energy: -76.384 flat angles P-C4'-P energy: -59.303 tors. eta vs tors. theta energy: 23.352 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: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -468.280879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.280879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.280879 (E_RNA) where: Base-Base interactions energy: -176.587 where: short stacking energy: -128.516 Base-Backbone interact. energy: -0.840 local terms energy: -290.853807 where: bonds (distance) C4'-P energy: -79.850 bonds (distance) P-C4' energy: -110.206 flat angles C4'-P-C4' energy: -69.841 flat angles P-C4'-P energy: -34.806 tors. eta vs tors. theta energy: 3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1820.058667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.058667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.058667 (E_RNA) where: Base-Base interactions energy: -1217.440 where: short stacking energy: -553.492 Base-Backbone interact. energy: -2.535 local terms energy: -600.083237 where: bonds (distance) C4'-P energy: -123.428 bonds (distance) P-C4' energy: -106.607 flat angles C4'-P-C4' energy: -128.733 flat angles P-C4'-P energy: -93.849 tors. eta vs tors. theta energy: -147.466 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: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1627.202372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.202372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.202372 (E_RNA) where: Base-Base interactions energy: -1045.705 where: short stacking energy: -496.620 Base-Backbone interact. energy: -0.672 local terms energy: -580.826137 where: bonds (distance) C4'-P energy: -117.391 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -134.785 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: -142.121 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: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1467.763260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.763260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.763260 (E_RNA) where: Base-Base interactions energy: -933.425 where: short stacking energy: -434.362 Base-Backbone interact. energy: -2.973 local terms energy: -531.365300 where: bonds (distance) C4'-P energy: -119.816 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -112.306 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -101.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1415.350421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.350421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.350421 (E_RNA) where: Base-Base interactions energy: -879.028 where: short stacking energy: -399.419 Base-Backbone interact. energy: -3.082 local terms energy: -533.240254 where: bonds (distance) C4'-P energy: -104.247 bonds (distance) P-C4' energy: -121.203 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -71.325 tors. eta vs tors. theta energy: -104.322 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: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1152.054366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.054366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.054366 (E_RNA) where: Base-Base interactions energy: -690.628 where: short stacking energy: -361.789 Base-Backbone interact. energy: 0.665 local terms energy: -462.091068 where: bonds (distance) C4'-P energy: -108.626 bonds (distance) P-C4' energy: -111.080 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -79.784 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: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1036.175343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.175343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.175343 (E_RNA) where: Base-Base interactions energy: -580.370 where: short stacking energy: -280.044 Base-Backbone interact. energy: -2.443 local terms energy: -453.362920 where: bonds (distance) C4'-P energy: -105.996 bonds (distance) P-C4' energy: -124.909 flat angles C4'-P-C4' energy: -103.926 flat angles P-C4'-P energy: -65.602 tors. eta vs tors. theta energy: -52.931 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: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -821.468137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.468137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.468137 (E_RNA) where: Base-Base interactions energy: -421.697 where: short stacking energy: -240.944 Base-Backbone interact. energy: -1.321 local terms energy: -398.450142 where: bonds (distance) C4'-P energy: -110.984 bonds (distance) P-C4' energy: -108.626 flat angles C4'-P-C4' energy: -93.923 flat angles P-C4'-P energy: -69.463 tors. eta vs tors. theta energy: -15.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -780.324277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.324277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.324277 (E_RNA) where: Base-Base interactions energy: -389.429 where: short stacking energy: -232.845 Base-Backbone interact. energy: 1.674 local terms energy: -392.568672 where: bonds (distance) C4'-P energy: -99.034 bonds (distance) P-C4' energy: -101.171 flat angles C4'-P-C4' energy: -115.202 flat angles P-C4'-P energy: -55.966 tors. eta vs tors. theta energy: -21.196 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: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -510.640579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.640579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.640579 (E_RNA) where: Base-Base interactions energy: -170.332 where: short stacking energy: -152.556 Base-Backbone interact. energy: -1.109 local terms energy: -339.199923 where: bonds (distance) C4'-P energy: -111.325 bonds (distance) P-C4' energy: -117.916 flat angles C4'-P-C4' energy: -87.619 flat angles P-C4'-P energy: -39.728 tors. eta vs tors. theta energy: 17.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -457.575265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.575265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.575265 (E_RNA) where: Base-Base interactions energy: -185.361 where: short stacking energy: -161.815 Base-Backbone interact. energy: 0.814 local terms energy: -273.027348 where: bonds (distance) C4'-P energy: -86.151 bonds (distance) P-C4' energy: -97.422 flat angles C4'-P-C4' energy: -56.001 flat angles P-C4'-P energy: -50.219 tors. eta vs tors. theta energy: 16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1838.024333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.024333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.024333 (E_RNA) where: Base-Base interactions energy: -1212.758 where: short stacking energy: -524.089 Base-Backbone interact. energy: 0.419 local terms energy: -625.685510 where: bonds (distance) C4'-P energy: -125.289 bonds (distance) P-C4' energy: -122.284 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -133.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1653.876560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.876560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.876560 (E_RNA) where: Base-Base interactions energy: -1068.361 where: short stacking energy: -493.825 Base-Backbone interact. energy: -2.455 local terms energy: -583.060312 where: bonds (distance) C4'-P energy: -109.585 bonds (distance) P-C4' energy: -114.025 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -98.956 tors. eta vs tors. theta energy: -128.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1473.274157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.274157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.274157 (E_RNA) where: Base-Base interactions energy: -917.760 where: short stacking energy: -426.001 Base-Backbone interact. energy: -0.677 local terms energy: -554.837803 where: bonds (distance) C4'-P energy: -102.986 bonds (distance) P-C4' energy: -119.172 flat angles C4'-P-C4' energy: -134.179 flat angles P-C4'-P energy: -85.040 tors. eta vs tors. theta energy: -113.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1441.056642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.056642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.056642 (E_RNA) where: Base-Base interactions energy: -903.737 where: short stacking energy: -455.907 Base-Backbone interact. energy: -2.530 local terms energy: -534.789652 where: bonds (distance) C4'-P energy: -112.915 bonds (distance) P-C4' energy: -103.597 flat angles C4'-P-C4' energy: -122.898 flat angles P-C4'-P energy: -79.550 tors. eta vs tors. theta energy: -115.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1149.747855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.747855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.747855 (E_RNA) where: Base-Base interactions energy: -670.790 where: short stacking energy: -341.855 Base-Backbone interact. energy: -0.624 local terms energy: -478.334768 where: bonds (distance) C4'-P energy: -106.421 bonds (distance) P-C4' energy: -116.742 flat angles C4'-P-C4' energy: -111.699 flat angles P-C4'-P energy: -71.586 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1073.741157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.741157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.741157 (E_RNA) where: Base-Base interactions energy: -619.944 where: short stacking energy: -283.007 Base-Backbone interact. energy: -4.016 local terms energy: -449.780564 where: bonds (distance) C4'-P energy: -116.072 bonds (distance) P-C4' energy: -127.843 flat angles C4'-P-C4' energy: -89.122 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -43.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -890.530302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.530302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.530302 (E_RNA) where: Base-Base interactions energy: -482.123 where: short stacking energy: -278.429 Base-Backbone interact. energy: -4.345 local terms energy: -404.062601 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -99.424 flat angles C4'-P-C4' energy: -110.201 flat angles P-C4'-P energy: -63.334 tors. eta vs tors. theta energy: -42.701 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: 1 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -826.951585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.951585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.951585 (E_RNA) where: Base-Base interactions energy: -447.463 where: short stacking energy: -211.221 Base-Backbone interact. energy: -2.390 local terms energy: -377.098069 where: bonds (distance) C4'-P energy: -109.072 bonds (distance) P-C4' energy: -112.408 flat angles C4'-P-C4' energy: -98.709 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -500.845134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.845134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.845134 (E_RNA) where: Base-Base interactions energy: -143.815 where: short stacking energy: -120.369 Base-Backbone interact. energy: -0.733 local terms energy: -356.296708 where: bonds (distance) C4'-P energy: -116.137 bonds (distance) P-C4' energy: -108.642 flat angles C4'-P-C4' energy: -77.527 flat angles P-C4'-P energy: -66.009 tors. eta vs tors. theta energy: 12.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -480.275673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.275673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.275673 (E_RNA) where: Base-Base interactions energy: -191.630 where: short stacking energy: -137.740 Base-Backbone interact. energy: 2.000 local terms energy: -290.646360 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -91.079 flat angles C4'-P-C4' energy: -80.758 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: 25.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1855.332215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.332215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.332215 (E_RNA) where: Base-Base interactions energy: -1244.585 where: short stacking energy: -528.774 Base-Backbone interact. energy: -1.476 local terms energy: -609.271466 where: bonds (distance) C4'-P energy: -120.558 bonds (distance) P-C4' energy: -121.249 flat angles C4'-P-C4' energy: -143.943 flat angles P-C4'-P energy: -87.253 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: 2, replica: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1620.487869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.487869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.487869 (E_RNA) where: Base-Base interactions energy: -1038.278 where: short stacking energy: -476.295 Base-Backbone interact. energy: -2.484 local terms energy: -579.725317 where: bonds (distance) C4'-P energy: -135.326 bonds (distance) P-C4' energy: -114.927 flat angles C4'-P-C4' energy: -134.390 flat angles P-C4'-P energy: -67.641 tors. eta vs tors. theta energy: -127.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1492.736324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.736324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.736324 (E_RNA) where: Base-Base interactions energy: -963.008 where: short stacking energy: -451.687 Base-Backbone interact. energy: -1.280 local terms energy: -528.448692 where: bonds (distance) C4'-P energy: -105.454 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -79.341 tors. eta vs tors. theta energy: -114.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1440.006983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.006983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.006983 (E_RNA) where: Base-Base interactions energy: -928.003 where: short stacking energy: -430.647 Base-Backbone interact. energy: -0.509 local terms energy: -511.494976 where: bonds (distance) C4'-P energy: -113.919 bonds (distance) P-C4' energy: -102.200 flat angles C4'-P-C4' energy: -112.973 flat angles P-C4'-P energy: -63.648 tors. eta vs tors. theta energy: -118.755 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: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1234.690627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.690627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.690627 (E_RNA) where: Base-Base interactions energy: -738.840 where: short stacking energy: -372.745 Base-Backbone interact. energy: 3.575 local terms energy: -499.425780 where: bonds (distance) C4'-P energy: -103.220 bonds (distance) P-C4' energy: -123.351 flat angles C4'-P-C4' energy: -114.509 flat angles P-C4'-P energy: -73.733 tors. eta vs tors. theta energy: -84.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1087.369419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.369419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.369419 (E_RNA) where: Base-Base interactions energy: -626.010 where: short stacking energy: -306.298 Base-Backbone interact. energy: -0.082 local terms energy: -461.278142 where: bonds (distance) C4'-P energy: -97.840 bonds (distance) P-C4' energy: -116.959 flat angles C4'-P-C4' energy: -105.212 flat angles P-C4'-P energy: -78.207 tors. eta vs tors. theta energy: -63.060 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: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -931.522060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.522060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.522060 (E_RNA) where: Base-Base interactions energy: -508.422 where: short stacking energy: -295.682 Base-Backbone interact. energy: -0.905 local terms energy: -422.195037 where: bonds (distance) C4'-P energy: -116.598 bonds (distance) P-C4' energy: -90.220 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -77.353 tors. eta vs tors. theta energy: -39.871 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: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -796.101006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.101006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.101006 (E_RNA) where: Base-Base interactions energy: -437.195 where: short stacking energy: -223.742 Base-Backbone interact. energy: 4.480 local terms energy: -363.385055 where: bonds (distance) C4'-P energy: -100.667 bonds (distance) P-C4' energy: -106.341 flat angles C4'-P-C4' energy: -87.067 flat angles P-C4'-P energy: -51.593 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -499.087037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.087037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.087037 (E_RNA) where: Base-Base interactions energy: -135.764 where: short stacking energy: -133.053 Base-Backbone interact. energy: 1.282 local terms energy: -364.604638 where: bonds (distance) C4'-P energy: -99.220 bonds (distance) P-C4' energy: -116.187 flat angles C4'-P-C4' energy: -104.444 flat angles P-C4'-P energy: -56.481 tors. eta vs tors. theta energy: 11.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -466.582193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.582193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.582193 (E_RNA) where: Base-Base interactions energy: -145.944 where: short stacking energy: -114.256 Base-Backbone interact. energy: -2.875 local terms energy: -317.762955 where: bonds (distance) C4'-P energy: -110.847 bonds (distance) P-C4' energy: -102.250 flat angles C4'-P-C4' energy: -58.670 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: 16.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1848.598107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.598107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.598107 (E_RNA) where: Base-Base interactions energy: -1222.106 where: short stacking energy: -549.281 Base-Backbone interact. energy: -2.390 local terms energy: -624.102879 where: bonds (distance) C4'-P energy: -119.820 bonds (distance) P-C4' energy: -121.911 flat angles C4'-P-C4' energy: -136.738 flat angles P-C4'-P energy: -97.785 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: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1599.977762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.977762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.977762 (E_RNA) where: Base-Base interactions energy: -1057.754 where: short stacking energy: -493.262 Base-Backbone interact. energy: -3.103 local terms energy: -539.121010 where: bonds (distance) C4'-P energy: -106.808 bonds (distance) P-C4' energy: -106.746 flat angles C4'-P-C4' energy: -131.123 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -120.705 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1562.375071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.375071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.375071 (E_RNA) where: Base-Base interactions energy: -1008.621 where: short stacking energy: -457.656 Base-Backbone interact. energy: 4.776 local terms energy: -558.529646 where: bonds (distance) C4'-P energy: -114.886 bonds (distance) P-C4' energy: -102.814 flat angles C4'-P-C4' energy: -126.942 flat angles P-C4'-P energy: -81.812 tors. eta vs tors. theta energy: -132.075 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: 23 Temperature: 1.050000 Total energy: -1438.965383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.965383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.965383 (E_RNA) where: Base-Base interactions energy: -917.425 where: short stacking energy: -425.611 Base-Backbone interact. energy: -1.604 local terms energy: -519.936202 where: bonds (distance) C4'-P energy: -110.491 bonds (distance) P-C4' energy: -107.067 flat angles C4'-P-C4' energy: -121.457 flat angles P-C4'-P energy: -67.223 tors. eta vs tors. theta energy: -113.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1337.205162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.205162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.205162 (E_RNA) where: Base-Base interactions energy: -832.448 where: short stacking energy: -372.239 Base-Backbone interact. energy: -0.527 local terms energy: -504.230300 where: bonds (distance) C4'-P energy: -99.660 bonds (distance) P-C4' energy: -118.571 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -76.970 tors. eta vs tors. theta energy: -92.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1115.322863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.322863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.322863 (E_RNA) where: Base-Base interactions energy: -666.548 where: short stacking energy: -325.160 Base-Backbone interact. energy: -5.309 local terms energy: -443.465516 where: bonds (distance) C4'-P energy: -90.781 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -106.958 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -63.823 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: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -930.902648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.902648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.902648 (E_RNA) where: Base-Base interactions energy: -516.848 where: short stacking energy: -290.838 Base-Backbone interact. energy: -1.178 local terms energy: -412.876814 where: bonds (distance) C4'-P energy: -112.830 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -96.154 flat angles P-C4'-P energy: -46.223 tors. eta vs tors. theta energy: -46.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -767.958059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.958059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.958059 (E_RNA) where: Base-Base interactions energy: -374.805 where: short stacking energy: -217.964 Base-Backbone interact. energy: -3.195 local terms energy: -389.957981 where: bonds (distance) C4'-P energy: -113.064 bonds (distance) P-C4' energy: -106.768 flat angles C4'-P-C4' energy: -99.872 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: -17.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -490.095957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.095957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.095957 (E_RNA) where: Base-Base interactions energy: -154.504 where: short stacking energy: -142.912 Base-Backbone interact. energy: 2.634 local terms energy: -338.226554 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -119.092 flat angles C4'-P-C4' energy: -89.508 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: 18.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -449.426297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.426297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.426297 (E_RNA) where: Base-Base interactions energy: -134.316 where: short stacking energy: -111.024 Base-Backbone interact. energy: -0.539 local terms energy: -314.571266 where: bonds (distance) C4'-P energy: -107.019 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -67.082 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: 21.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1881.521795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.521795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.521795 (E_RNA) where: Base-Base interactions energy: -1268.475 where: short stacking energy: -571.548 Base-Backbone interact. energy: -2.335 local terms energy: -610.712114 where: bonds (distance) C4'-P energy: -109.694 bonds (distance) P-C4' energy: -116.231 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -89.132 tors. eta vs tors. theta energy: -164.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1616.505748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.505748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.505748 (E_RNA) where: Base-Base interactions energy: -1053.398 where: short stacking energy: -466.732 Base-Backbone interact. energy: -2.532 local terms energy: -560.575295 where: bonds (distance) C4'-P energy: -119.496 bonds (distance) P-C4' energy: -118.968 flat angles C4'-P-C4' energy: -129.413 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -118.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1558.018327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.018327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.018327 (E_RNA) where: Base-Base interactions energy: -1004.812 where: short stacking energy: -476.509 Base-Backbone interact. energy: -0.836 local terms energy: -552.370701 where: bonds (distance) C4'-P energy: -98.768 bonds (distance) P-C4' energy: -115.720 flat angles C4'-P-C4' energy: -130.101 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -126.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1466.740021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.740021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.740021 (E_RNA) where: Base-Base interactions energy: -931.595 where: short stacking energy: -427.672 Base-Backbone interact. energy: -0.981 local terms energy: -534.163536 where: bonds (distance) C4'-P energy: -115.672 bonds (distance) P-C4' energy: -116.824 flat angles C4'-P-C4' energy: -116.110 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: -116.650 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: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1287.138082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.138082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.138082 (E_RNA) where: Base-Base interactions energy: -796.608 where: short stacking energy: -363.873 Base-Backbone interact. energy: -1.033 local terms energy: -489.497079 where: bonds (distance) C4'-P energy: -112.953 bonds (distance) P-C4' energy: -115.635 flat angles C4'-P-C4' energy: -124.990 flat angles P-C4'-P energy: -68.595 tors. eta vs tors. theta energy: -67.323 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: 24 Temperature: 1.150000 Total energy: -1119.447482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.447482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.447482 (E_RNA) where: Base-Base interactions energy: -663.670 where: short stacking energy: -318.929 Base-Backbone interact. energy: -1.377 local terms energy: -454.400142 where: bonds (distance) C4'-P energy: -107.079 bonds (distance) P-C4' energy: -99.586 flat angles C4'-P-C4' energy: -114.176 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -64.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -924.028573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.028573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.028573 (E_RNA) where: Base-Base interactions energy: -523.815 where: short stacking energy: -292.544 Base-Backbone interact. energy: 6.488 local terms energy: -406.701433 where: bonds (distance) C4'-P energy: -88.176 bonds (distance) P-C4' energy: -107.022 flat angles C4'-P-C4' energy: -103.042 flat angles P-C4'-P energy: -68.529 tors. eta vs tors. theta energy: -39.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -726.604668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.604668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.604668 (E_RNA) where: Base-Base interactions energy: -350.450 where: short stacking energy: -226.092 Base-Backbone interact. energy: 0.206 local terms energy: -376.361131 where: bonds (distance) C4'-P energy: -87.939 bonds (distance) P-C4' energy: -114.062 flat angles C4'-P-C4' energy: -104.218 flat angles P-C4'-P energy: -57.849 tors. eta vs tors. theta energy: -12.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -550.772262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.772262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.772262 (E_RNA) where: Base-Base interactions energy: -212.153 where: short stacking energy: -146.185 Base-Backbone interact. energy: -0.440 local terms energy: -338.180185 where: bonds (distance) C4'-P energy: -103.461 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -97.022 flat angles P-C4'-P energy: -53.522 tors. eta vs tors. theta energy: 4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -466.767607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.767607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.767607 (E_RNA) where: Base-Base interactions energy: -145.686 where: short stacking energy: -119.240 Base-Backbone interact. energy: -0.970 local terms energy: -320.111595 where: bonds (distance) C4'-P energy: -94.013 bonds (distance) P-C4' energy: -110.596 flat angles C4'-P-C4' energy: -79.386 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: 4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1914.316662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.316662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.316662 (E_RNA) where: Base-Base interactions energy: -1275.874 where: short stacking energy: -576.212 Base-Backbone interact. energy: -0.437 local terms energy: -638.005814 where: bonds (distance) C4'-P energy: -121.421 bonds (distance) P-C4' energy: -129.997 flat angles C4'-P-C4' energy: -140.486 flat angles P-C4'-P energy: -96.932 tors. eta vs tors. theta energy: -149.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1615.067849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.067849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.067849 (E_RNA) where: Base-Base interactions energy: -1068.974 where: short stacking energy: -468.134 Base-Backbone interact. energy: 0.618 local terms energy: -546.711756 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -120.598 flat angles C4'-P-C4' energy: -124.470 flat angles P-C4'-P energy: -75.892 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: 3, replica: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1550.024345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.024345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.024345 (E_RNA) where: Base-Base interactions energy: -1007.831 where: short stacking energy: -452.918 Base-Backbone interact. energy: 4.880 local terms energy: -547.073236 where: bonds (distance) C4'-P energy: -119.050 bonds (distance) P-C4' energy: -106.932 flat angles C4'-P-C4' energy: -125.049 flat angles P-C4'-P energy: -80.870 tors. eta vs tors. theta energy: -115.173 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: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1445.079007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.079007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.079007 (E_RNA) where: Base-Base interactions energy: -889.763 where: short stacking energy: -425.262 Base-Backbone interact. energy: -0.224 local terms energy: -555.092254 where: bonds (distance) C4'-P energy: -119.839 bonds (distance) P-C4' energy: -119.708 flat angles C4'-P-C4' energy: -116.206 flat angles P-C4'-P energy: -82.775 tors. eta vs tors. theta energy: -116.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1291.475744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.475744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.475744 (E_RNA) where: Base-Base interactions energy: -790.635 where: short stacking energy: -381.480 Base-Backbone interact. energy: 1.177 local terms energy: -502.017985 where: bonds (distance) C4'-P energy: -109.842 bonds (distance) P-C4' energy: -122.830 flat angles C4'-P-C4' energy: -116.173 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -87.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1166.490864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.490864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.490864 (E_RNA) where: Base-Base interactions energy: -665.663 where: short stacking energy: -321.964 Base-Backbone interact. energy: -0.871 local terms energy: -499.956641 where: bonds (distance) C4'-P energy: -116.917 bonds (distance) P-C4' energy: -131.069 flat angles C4'-P-C4' energy: -119.458 flat angles P-C4'-P energy: -65.588 tors. eta vs tors. theta energy: -66.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -914.597780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.597780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.597780 (E_RNA) where: Base-Base interactions energy: -481.363 where: short stacking energy: -252.850 Base-Backbone interact. energy: 0.386 local terms energy: -433.620815 where: bonds (distance) C4'-P energy: -117.677 bonds (distance) P-C4' energy: -114.573 flat angles C4'-P-C4' energy: -103.643 flat angles P-C4'-P energy: -61.420 tors. eta vs tors. theta energy: -36.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -604.777997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.777997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.777997 (E_RNA) where: Base-Base interactions energy: -260.428 where: short stacking energy: -196.151 Base-Backbone interact. energy: -1.637 local terms energy: -342.713170 where: bonds (distance) C4'-P energy: -93.653 bonds (distance) P-C4' energy: -105.742 flat angles C4'-P-C4' energy: -95.908 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -3.828 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: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -516.586363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.586363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.586363 (E_RNA) where: Base-Base interactions energy: -167.501 where: short stacking energy: -145.738 Base-Backbone interact. energy: -0.674 local terms energy: -348.411253 where: bonds (distance) C4'-P energy: -103.280 bonds (distance) P-C4' energy: -117.365 flat angles C4'-P-C4' energy: -80.529 flat angles P-C4'-P energy: -57.910 tors. eta vs tors. theta energy: 10.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -493.518847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.518847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.518847 (E_RNA) where: Base-Base interactions energy: -154.059 where: short stacking energy: -113.649 Base-Backbone interact. energy: -1.572 local terms energy: -337.888118 where: bonds (distance) C4'-P energy: -114.387 bonds (distance) P-C4' energy: -115.872 flat angles C4'-P-C4' energy: -79.304 flat angles P-C4'-P energy: -44.973 tors. eta vs tors. theta energy: 16.648 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: 10 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1868.469239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.469239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.469239 (E_RNA) where: Base-Base interactions energy: -1247.929 where: short stacking energy: -558.624 Base-Backbone interact. energy: -5.271 local terms energy: -615.269105 where: bonds (distance) C4'-P energy: -119.181 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -144.067 flat angles P-C4'-P energy: -81.474 tors. eta vs tors. theta energy: -149.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1667.838348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.838348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.838348 (E_RNA) where: Base-Base interactions energy: -1102.755 where: short stacking energy: -495.647 Base-Backbone interact. energy: -3.241 local terms energy: -561.841614 where: bonds (distance) C4'-P energy: -116.276 bonds (distance) P-C4' energy: -120.808 flat angles C4'-P-C4' energy: -133.939 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -120.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1572.764618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.764618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.764618 (E_RNA) where: Base-Base interactions energy: -1021.656 where: short stacking energy: -481.425 Base-Backbone interact. energy: -0.343 local terms energy: -550.765747 where: bonds (distance) C4'-P energy: -115.588 bonds (distance) P-C4' energy: -111.665 flat angles C4'-P-C4' energy: -123.612 flat angles P-C4'-P energy: -81.534 tors. eta vs tors. theta energy: -118.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1488.427529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.427529 (E_RNA) where: Base-Base interactions energy: -916.743 where: short stacking energy: -422.080 Base-Backbone interact. energy: -4.106 local terms energy: -567.578584 where: bonds (distance) C4'-P energy: -115.513 bonds (distance) P-C4' energy: -119.517 flat angles C4'-P-C4' energy: -137.383 flat angles P-C4'-P energy: -68.379 tors. eta vs tors. theta energy: -126.787 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: 26 Temperature: 1.100000 Total energy: -1301.065824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.065824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.065824 (E_RNA) where: Base-Base interactions energy: -783.121 where: short stacking energy: -405.299 Base-Backbone interact. energy: 1.654 local terms energy: -519.599146 where: bonds (distance) C4'-P energy: -110.693 bonds (distance) P-C4' energy: -120.810 flat angles C4'-P-C4' energy: -112.735 flat angles P-C4'-P energy: -81.853 tors. eta vs tors. theta energy: -93.508 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: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1111.059960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.059960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.059960 (E_RNA) where: Base-Base interactions energy: -657.582 where: short stacking energy: -320.359 Base-Backbone interact. energy: 0.124 local terms energy: -453.601758 where: bonds (distance) C4'-P energy: -113.355 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -111.288 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -62.213 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: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -939.832298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.832298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.832298 (E_RNA) where: Base-Base interactions energy: -528.234 where: short stacking energy: -264.285 Base-Backbone interact. energy: 9.612 local terms energy: -421.209625 where: bonds (distance) C4'-P energy: -101.697 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -106.906 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -39.916 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: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -637.006998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.006998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.006998 (E_RNA) where: Base-Base interactions energy: -292.042 where: short stacking energy: -177.530 Base-Backbone interact. energy: -0.373 local terms energy: -344.591318 where: bonds (distance) C4'-P energy: -113.737 bonds (distance) P-C4' energy: -111.598 flat angles C4'-P-C4' energy: -78.390 flat angles P-C4'-P energy: -51.441 tors. eta vs tors. theta energy: 10.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -490.550103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.550103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.550103 (E_RNA) where: Base-Base interactions energy: -175.509 where: short stacking energy: -142.481 Base-Backbone interact. energy: 0.486 local terms energy: -315.527103 where: bonds (distance) C4'-P energy: -92.265 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -84.873 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: 5.338 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: 10, replica: 5 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -455.012358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.012358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.012358 (E_RNA) where: Base-Base interactions energy: -136.617 where: short stacking energy: -113.819 Base-Backbone interact. energy: 1.067 local terms energy: -319.461974 where: bonds (distance) C4'-P energy: -110.446 bonds (distance) P-C4' energy: -97.797 flat angles C4'-P-C4' energy: -92.314 flat angles P-C4'-P energy: -54.266 tors. eta vs tors. theta energy: 35.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1932.574069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.574069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.574069 (E_RNA) where: Base-Base interactions energy: -1305.998 where: short stacking energy: -556.297 Base-Backbone interact. energy: -4.418 local terms energy: -622.157706 where: bonds (distance) C4'-P energy: -125.346 bonds (distance) P-C4' energy: -116.193 flat angles C4'-P-C4' energy: -138.700 flat angles P-C4'-P energy: -85.818 tors. eta vs tors. theta energy: -156.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1719.245143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.245143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.245143 (E_RNA) where: Base-Base interactions energy: -1128.970 where: short stacking energy: -500.882 Base-Backbone interact. energy: 0.904 local terms energy: -591.179673 where: bonds (distance) C4'-P energy: -120.167 bonds (distance) P-C4' energy: -126.389 flat angles C4'-P-C4' energy: -127.638 flat angles P-C4'-P energy: -79.917 tors. eta vs tors. theta energy: -137.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1587.684983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.684983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.684983 (E_RNA) where: Base-Base interactions energy: -1017.419 where: short stacking energy: -444.898 Base-Backbone interact. energy: -2.676 local terms energy: -567.590158 where: bonds (distance) C4'-P energy: -110.354 bonds (distance) P-C4' energy: -133.043 flat angles C4'-P-C4' energy: -124.394 flat angles P-C4'-P energy: -81.713 tors. eta vs tors. theta energy: -118.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1534.259223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.259223 (E_RNA) where: Base-Base interactions energy: -957.557 where: short stacking energy: -438.476 Base-Backbone interact. energy: -2.643 local terms energy: -574.059372 where: bonds (distance) C4'-P energy: -103.562 bonds (distance) P-C4' energy: -121.240 flat angles C4'-P-C4' energy: -122.526 flat angles P-C4'-P energy: -92.046 tors. eta vs tors. theta energy: -134.686 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: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1302.566965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.566965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.566965 (E_RNA) where: Base-Base interactions energy: -800.441 where: short stacking energy: -378.109 Base-Backbone interact. energy: -2.340 local terms energy: -499.786933 where: bonds (distance) C4'-P energy: -126.622 bonds (distance) P-C4' energy: -107.408 flat angles C4'-P-C4' energy: -114.331 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -80.323 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: 27 Temperature: 1.150000 Total energy: -1145.172156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.172156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.172156 (E_RNA) where: Base-Base interactions energy: -665.183 where: short stacking energy: -333.909 Base-Backbone interact. energy: -1.886 local terms energy: -478.103215 where: bonds (distance) C4'-P energy: -115.553 bonds (distance) P-C4' energy: -112.490 flat angles C4'-P-C4' energy: -109.209 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -72.747 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -936.091580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.091580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.091580 (E_RNA) where: Base-Base interactions energy: -510.446 where: short stacking energy: -276.239 Base-Backbone interact. energy: 3.097 local terms energy: -428.742269 where: bonds (distance) C4'-P energy: -95.069 bonds (distance) P-C4' energy: -113.383 flat angles C4'-P-C4' energy: -105.957 flat angles P-C4'-P energy: -61.955 tors. eta vs tors. theta energy: -52.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -646.879558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.879558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.879558 (E_RNA) where: Base-Base interactions energy: -322.260 where: short stacking energy: -167.057 Base-Backbone interact. energy: -0.741 local terms energy: -323.878670 where: bonds (distance) C4'-P energy: -99.717 bonds (distance) P-C4' energy: -90.558 flat angles C4'-P-C4' energy: -82.589 flat angles P-C4'-P energy: -63.031 tors. eta vs tors. theta energy: 12.017 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: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -558.018510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.018510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.018510 (E_RNA) where: Base-Base interactions energy: -199.948 where: short stacking energy: -178.086 Base-Backbone interact. energy: -0.982 local terms energy: -357.088928 where: bonds (distance) C4'-P energy: -89.882 bonds (distance) P-C4' energy: -108.800 flat angles C4'-P-C4' energy: -98.582 flat angles P-C4'-P energy: -59.623 tors. eta vs tors. theta energy: -0.202 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: 5 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -460.826678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.826678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.826678 (E_RNA) where: Base-Base interactions energy: -154.687 where: short stacking energy: -121.928 Base-Backbone interact. energy: 2.003 local terms energy: -308.142658 where: bonds (distance) C4'-P energy: -93.053 bonds (distance) P-C4' energy: -108.842 flat angles C4'-P-C4' energy: -89.465 flat angles P-C4'-P energy: -42.485 tors. eta vs tors. theta energy: 25.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1946.702588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.702588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.702588 (E_RNA) where: Base-Base interactions energy: -1296.248 where: short stacking energy: -571.819 Base-Backbone interact. energy: -1.689 local terms energy: -648.765790 where: bonds (distance) C4'-P energy: -132.251 bonds (distance) P-C4' energy: -124.678 flat angles C4'-P-C4' energy: -135.325 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -165.337 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: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1694.323471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.323471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.323471 (E_RNA) where: Base-Base interactions energy: -1107.959 where: short stacking energy: -479.706 Base-Backbone interact. energy: -1.854 local terms energy: -584.510316 where: bonds (distance) C4'-P energy: -127.820 bonds (distance) P-C4' energy: -126.008 flat angles C4'-P-C4' energy: -121.551 flat angles P-C4'-P energy: -81.335 tors. eta vs tors. theta energy: -127.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1579.826945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.826945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.826945 (E_RNA) where: Base-Base interactions energy: -1007.482 where: short stacking energy: -455.128 Base-Backbone interact. energy: -1.703 local terms energy: -570.642183 where: bonds (distance) C4'-P energy: -113.128 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -114.448 flat angles P-C4'-P energy: -91.575 tors. eta vs tors. theta energy: -121.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1546.779616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.779616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.779616 (E_RNA) where: Base-Base interactions energy: -999.942 where: short stacking energy: -473.652 Base-Backbone interact. energy: 3.530 local terms energy: -550.367411 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -123.305 flat angles P-C4'-P energy: -81.021 tors. eta vs tors. theta energy: -119.242 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: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1284.934648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.934648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.934648 (E_RNA) where: Base-Base interactions energy: -792.501 where: short stacking energy: -376.007 Base-Backbone interact. energy: 4.363 local terms energy: -496.796527 where: bonds (distance) C4'-P energy: -121.085 bonds (distance) P-C4' energy: -107.481 flat angles C4'-P-C4' energy: -104.838 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -81.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1138.185000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.185000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.185000 (E_RNA) where: Base-Base interactions energy: -670.419 where: short stacking energy: -341.284 Base-Backbone interact. energy: -3.257 local terms energy: -464.509625 where: bonds (distance) C4'-P energy: -90.749 bonds (distance) P-C4' energy: -115.479 flat angles C4'-P-C4' energy: -124.966 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -63.486 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: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -931.451618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.451618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.451618 (E_RNA) where: Base-Base interactions energy: -527.656 where: short stacking energy: -262.565 Base-Backbone interact. energy: -0.512 local terms energy: -403.283903 where: bonds (distance) C4'-P energy: -102.253 bonds (distance) P-C4' energy: -110.483 flat angles C4'-P-C4' energy: -82.111 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -38.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -677.095818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.095818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.095818 (E_RNA) where: Base-Base interactions energy: -300.399 where: short stacking energy: -210.254 Base-Backbone interact. energy: -0.577 local terms energy: -376.120093 where: bonds (distance) C4'-P energy: -112.184 bonds (distance) P-C4' energy: -107.163 flat angles C4'-P-C4' energy: -82.459 flat angles P-C4'-P energy: -70.019 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -527.746943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.746943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.746943 (E_RNA) where: Base-Base interactions energy: -201.259 where: short stacking energy: -161.308 Base-Backbone interact. energy: 5.253 local terms energy: -331.740707 where: bonds (distance) C4'-P energy: -109.570 bonds (distance) P-C4' energy: -113.517 flat angles C4'-P-C4' energy: -73.731 flat angles P-C4'-P energy: -54.111 tors. eta vs tors. theta energy: 19.188 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: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -461.879874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.879874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.879874 (E_RNA) where: Base-Base interactions energy: -151.037 where: short stacking energy: -127.411 Base-Backbone interact. energy: 1.622 local terms energy: -312.464968 where: bonds (distance) C4'-P energy: -99.087 bonds (distance) P-C4' energy: -97.861 flat angles C4'-P-C4' energy: -82.645 flat angles P-C4'-P energy: -58.631 tors. eta vs tors. theta energy: 25.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1970.341486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.341486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.341486 (E_RNA) where: Base-Base interactions energy: -1339.641 where: short stacking energy: -592.845 Base-Backbone interact. energy: -2.995 local terms energy: -627.705618 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -127.978 flat angles C4'-P-C4' energy: -135.198 flat angles P-C4'-P energy: -91.832 tors. eta vs tors. theta energy: -156.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1766.254727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.254727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.254727 (E_RNA) where: Base-Base interactions energy: -1179.280 where: short stacking energy: -522.741 Base-Backbone interact. energy: -2.802 local terms energy: -584.172380 where: bonds (distance) C4'-P energy: -126.502 bonds (distance) P-C4' energy: -129.165 flat angles C4'-P-C4' energy: -123.547 flat angles P-C4'-P energy: -76.426 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: 3, replica: 2 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1639.281484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.281484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.281484 (E_RNA) where: Base-Base interactions energy: -1068.451 where: short stacking energy: -459.345 Base-Backbone interact. energy: -1.658 local terms energy: -569.173165 where: bonds (distance) C4'-P energy: -119.624 bonds (distance) P-C4' energy: -108.534 flat angles C4'-P-C4' energy: -127.041 flat angles P-C4'-P energy: -86.921 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: 4, replica: 3 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1519.248363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.248363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.248363 (E_RNA) where: Base-Base interactions energy: -964.309 where: short stacking energy: -443.029 Base-Backbone interact. energy: -4.589 local terms energy: -550.350625 where: bonds (distance) C4'-P energy: -114.466 bonds (distance) P-C4' energy: -111.582 flat angles C4'-P-C4' energy: -116.235 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -130.425 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: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1396.957974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.957974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.957974 (E_RNA) where: Base-Base interactions energy: -887.700 where: short stacking energy: -409.115 Base-Backbone interact. energy: -0.173 local terms energy: -509.084932 where: bonds (distance) C4'-P energy: -111.926 bonds (distance) P-C4' energy: -100.198 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -70.903 tors. eta vs tors. theta energy: -99.302 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: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1237.946480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.946480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.946480 (E_RNA) where: Base-Base interactions energy: -760.203 where: short stacking energy: -348.899 Base-Backbone interact. energy: -0.853 local terms energy: -476.890413 where: bonds (distance) C4'-P energy: -89.651 bonds (distance) P-C4' energy: -114.137 flat angles C4'-P-C4' energy: -117.561 flat angles P-C4'-P energy: -82.057 tors. eta vs tors. theta energy: -73.484 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: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -949.234057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.234057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.234057 (E_RNA) where: Base-Base interactions energy: -531.806 where: short stacking energy: -268.946 Base-Backbone interact. energy: -1.938 local terms energy: -415.490174 where: bonds (distance) C4'-P energy: -99.357 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -107.476 flat angles P-C4'-P energy: -55.786 tors. eta vs tors. theta energy: -37.202 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: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -685.446704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.446704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.446704 (E_RNA) where: Base-Base interactions energy: -292.049 where: short stacking energy: -184.784 Base-Backbone interact. energy: 0.106 local terms energy: -393.503238 where: bonds (distance) C4'-P energy: -104.409 bonds (distance) P-C4' energy: -111.713 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -65.186 tors. eta vs tors. theta energy: -18.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -510.482065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.482065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.482065 (E_RNA) where: Base-Base interactions energy: -188.686 where: short stacking energy: -155.059 Base-Backbone interact. energy: 0.304 local terms energy: -322.099702 where: bonds (distance) C4'-P energy: -97.219 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -94.545 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: 13.211 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: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -479.105717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.105717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.105717 (E_RNA) where: Base-Base interactions energy: -162.940 where: short stacking energy: -113.917 Base-Backbone interact. energy: 1.801 local terms energy: -317.965894 where: bonds (distance) C4'-P energy: -87.948 bonds (distance) P-C4' energy: -101.722 flat angles C4'-P-C4' energy: -97.115 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: 23.182 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: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1977.094228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.094228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.094228 (E_RNA) where: Base-Base interactions energy: -1324.949 where: short stacking energy: -559.821 Base-Backbone interact. energy: -1.743 local terms energy: -650.401588 where: bonds (distance) C4'-P energy: -127.173 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -138.197 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -157.388 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1748.063626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.063626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.063626 (E_RNA) where: Base-Base interactions energy: -1175.392 where: short stacking energy: -486.043 Base-Backbone interact. energy: 3.405 local terms energy: -576.076090 where: bonds (distance) C4'-P energy: -116.015 bonds (distance) P-C4' energy: -125.045 flat angles C4'-P-C4' energy: -131.348 flat angles P-C4'-P energy: -78.361 tors. eta vs tors. theta energy: -125.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1670.027482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.027482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.027482 (E_RNA) where: Base-Base interactions energy: -1076.246 where: short stacking energy: -483.638 Base-Backbone interact. energy: -4.371 local terms energy: -589.411326 where: bonds (distance) C4'-P energy: -118.436 bonds (distance) P-C4' energy: -120.265 flat angles C4'-P-C4' energy: -123.914 flat angles P-C4'-P energy: -92.534 tors. eta vs tors. theta energy: -134.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1491.460616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.460616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.460616 (E_RNA) where: Base-Base interactions energy: -942.210 where: short stacking energy: -411.741 Base-Backbone interact. energy: 2.953 local terms energy: -552.203760 where: bonds (distance) C4'-P energy: -124.529 bonds (distance) P-C4' energy: -120.504 flat angles C4'-P-C4' energy: -121.901 flat angles P-C4'-P energy: -74.487 tors. eta vs tors. theta energy: -110.782 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: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1536.732380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.732380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.732380 (E_RNA) where: Base-Base interactions energy: -992.598 where: short stacking energy: -420.542 Base-Backbone interact. energy: 0.443 local terms energy: -544.578027 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -126.508 flat angles P-C4'-P energy: -89.191 tors. eta vs tors. theta energy: -112.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1297.353362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.353362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.353362 (E_RNA) where: Base-Base interactions energy: -824.361 where: short stacking energy: -361.148 Base-Backbone interact. energy: 1.900 local terms energy: -474.892199 where: bonds (distance) C4'-P energy: -105.436 bonds (distance) P-C4' energy: -113.783 flat angles C4'-P-C4' energy: -108.796 flat angles P-C4'-P energy: -68.305 tors. eta vs tors. theta energy: -78.572 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: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -953.989364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.989364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.989364 (E_RNA) where: Base-Base interactions energy: -536.912 where: short stacking energy: -259.096 Base-Backbone interact. energy: -0.118 local terms energy: -416.958668 where: bonds (distance) C4'-P energy: -86.101 bonds (distance) P-C4' energy: -107.017 flat angles C4'-P-C4' energy: -109.795 flat angles P-C4'-P energy: -77.341 tors. eta vs tors. theta energy: -36.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -725.518658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.518658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.518658 (E_RNA) where: Base-Base interactions energy: -382.219 where: short stacking energy: -213.183 Base-Backbone interact. energy: 1.698 local terms energy: -344.997373 where: bonds (distance) C4'-P energy: -83.785 bonds (distance) P-C4' energy: -96.942 flat angles C4'-P-C4' energy: -88.578 flat angles P-C4'-P energy: -68.970 tors. eta vs tors. theta energy: -6.722 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: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -494.557318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.557318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.557318 (E_RNA) where: Base-Base interactions energy: -155.653 where: short stacking energy: -122.100 Base-Backbone interact. energy: 2.251 local terms energy: -341.155147 where: bonds (distance) C4'-P energy: -102.397 bonds (distance) P-C4' energy: -115.363 flat angles C4'-P-C4' energy: -94.567 flat angles P-C4'-P energy: -48.690 tors. eta vs tors. theta energy: 19.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -488.288451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.288451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.288451 (E_RNA) where: Base-Base interactions energy: -161.654 where: short stacking energy: -111.242 Base-Backbone interact. energy: -2.322 local terms energy: -324.312494 where: bonds (distance) C4'-P energy: -105.634 bonds (distance) P-C4' energy: -105.564 flat angles C4'-P-C4' energy: -92.188 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: 31.558 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: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1967.328082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.328082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.328082 (E_RNA) where: Base-Base interactions energy: -1331.342 where: short stacking energy: -575.134 Base-Backbone interact. energy: 0.684 local terms energy: -636.670250 where: bonds (distance) C4'-P energy: -128.696 bonds (distance) P-C4' energy: -120.960 flat angles C4'-P-C4' energy: -137.037 flat angles P-C4'-P energy: -89.553 tors. eta vs tors. theta energy: -160.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1761.693172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.693172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.693172 (E_RNA) where: Base-Base interactions energy: -1174.738 where: short stacking energy: -518.685 Base-Backbone interact. energy: -1.560 local terms energy: -585.395574 where: bonds (distance) C4'-P energy: -104.085 bonds (distance) P-C4' energy: -128.982 flat angles C4'-P-C4' energy: -128.117 flat angles P-C4'-P energy: -85.721 tors. eta vs tors. theta energy: -138.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1679.497484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.497484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.497484 (E_RNA) where: Base-Base interactions energy: -1118.338 where: short stacking energy: -484.866 Base-Backbone interact. energy: -3.823 local terms energy: -557.336877 where: bonds (distance) C4'-P energy: -112.869 bonds (distance) P-C4' energy: -97.749 flat angles C4'-P-C4' energy: -126.185 flat angles P-C4'-P energy: -86.730 tors. eta vs tors. theta energy: -133.804 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: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1630.748049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.748049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.748049 (E_RNA) where: Base-Base interactions energy: -1072.380 where: short stacking energy: -481.171 Base-Backbone interact. energy: 1.162 local terms energy: -559.530423 where: bonds (distance) C4'-P energy: -112.007 bonds (distance) P-C4' energy: -123.762 flat angles C4'-P-C4' energy: -116.044 flat angles P-C4'-P energy: -80.328 tors. eta vs tors. theta energy: -127.390 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: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1410.510776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.510776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.510776 (E_RNA) where: Base-Base interactions energy: -890.897 where: short stacking energy: -404.741 Base-Backbone interact. energy: 2.183 local terms energy: -521.796047 where: bonds (distance) C4'-P energy: -114.578 bonds (distance) P-C4' energy: -102.477 flat angles C4'-P-C4' energy: -116.194 flat angles P-C4'-P energy: -86.315 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: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1274.953695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.953695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.953695 (E_RNA) where: Base-Base interactions energy: -803.196 where: short stacking energy: -359.769 Base-Backbone interact. energy: 1.242 local terms energy: -472.999061 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -112.705 flat angles C4'-P-C4' energy: -122.987 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -78.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -936.202690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.202690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.202690 (E_RNA) where: Base-Base interactions energy: -538.378 where: short stacking energy: -288.528 Base-Backbone interact. energy: -1.138 local terms energy: -396.686529 where: bonds (distance) C4'-P energy: -104.512 bonds (distance) P-C4' energy: -99.184 flat angles C4'-P-C4' energy: -93.861 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -45.064 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: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -723.013686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.013686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.013686 (E_RNA) where: Base-Base interactions energy: -361.685 where: short stacking energy: -209.689 Base-Backbone interact. energy: -2.132 local terms energy: -359.196965 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -79.615 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -505.589812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.589812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.589812 (E_RNA) where: Base-Base interactions energy: -171.263 where: short stacking energy: -140.430 Base-Backbone interact. energy: 1.695 local terms energy: -336.021235 where: bonds (distance) C4'-P energy: -88.979 bonds (distance) P-C4' energy: -127.337 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: 22.637 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: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -513.894188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.894188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.894188 (E_RNA) where: Base-Base interactions energy: -205.582 where: short stacking energy: -139.095 Base-Backbone interact. energy: -1.153 local terms energy: -307.159369 where: bonds (distance) C4'-P energy: -96.335 bonds (distance) P-C4' energy: -105.867 flat angles C4'-P-C4' energy: -76.219 flat angles P-C4'-P energy: -43.374 tors. eta vs tors. theta energy: 14.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1987.202706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.202706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.202706 (E_RNA) where: Base-Base interactions energy: -1349.100 where: short stacking energy: -551.561 Base-Backbone interact. energy: -0.182 local terms energy: -637.921365 where: bonds (distance) C4'-P energy: -127.394 bonds (distance) P-C4' energy: -122.088 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -84.342 tors. eta vs tors. theta energy: -159.362 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: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1752.758255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.758255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.758255 (E_RNA) where: Base-Base interactions energy: -1165.914 where: short stacking energy: -491.428 Base-Backbone interact. energy: -3.723 local terms energy: -583.121767 where: bonds (distance) C4'-P energy: -115.262 bonds (distance) P-C4' energy: -125.046 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -88.932 tors. eta vs tors. theta energy: -125.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1739.041481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.041481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.041481 (E_RNA) where: Base-Base interactions energy: -1142.877 where: short stacking energy: -496.935 Base-Backbone interact. energy: -2.566 local terms energy: -593.598157 where: bonds (distance) C4'-P energy: -120.186 bonds (distance) P-C4' energy: -117.991 flat angles C4'-P-C4' energy: -130.967 flat angles P-C4'-P energy: -80.973 tors. eta vs tors. theta energy: -143.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1646.543903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.543903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.543903 (E_RNA) where: Base-Base interactions energy: -1067.696 where: short stacking energy: -485.812 Base-Backbone interact. energy: -1.626 local terms energy: -577.221846 where: bonds (distance) C4'-P energy: -112.003 bonds (distance) P-C4' energy: -126.667 flat angles C4'-P-C4' energy: -123.160 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -148.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1424.290798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.290798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.290798 (E_RNA) where: Base-Base interactions energy: -908.635 where: short stacking energy: -442.042 Base-Backbone interact. energy: -1.524 local terms energy: -514.132135 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -107.951 flat angles C4'-P-C4' energy: -115.218 flat angles P-C4'-P energy: -69.036 tors. eta vs tors. theta energy: -114.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1334.580042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.580042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.580042 (E_RNA) where: Base-Base interactions energy: -841.241 where: short stacking energy: -382.569 Base-Backbone interact. energy: 0.553 local terms energy: -493.891834 where: bonds (distance) C4'-P energy: -114.244 bonds (distance) P-C4' energy: -101.450 flat angles C4'-P-C4' energy: -116.307 flat angles P-C4'-P energy: -65.923 tors. eta vs tors. theta energy: -95.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -958.289708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.289708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.289708 (E_RNA) where: Base-Base interactions energy: -540.179 where: short stacking energy: -239.400 Base-Backbone interact. energy: -3.496 local terms energy: -414.614445 where: bonds (distance) C4'-P energy: -120.193 bonds (distance) P-C4' energy: -110.702 flat angles C4'-P-C4' energy: -113.847 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -33.413 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: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -714.894194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.894194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.894194 (E_RNA) where: Base-Base interactions energy: -326.020 where: short stacking energy: -176.050 Base-Backbone interact. energy: 3.663 local terms energy: -392.536739 where: bonds (distance) C4'-P energy: -105.257 bonds (distance) P-C4' energy: -127.941 flat angles C4'-P-C4' energy: -100.403 flat angles P-C4'-P energy: -43.745 tors. eta vs tors. theta energy: -15.191 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -503.225174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.225174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.225174 (E_RNA) where: Base-Base interactions energy: -174.287 where: short stacking energy: -155.070 Base-Backbone interact. energy: -2.231 local terms energy: -326.707677 where: bonds (distance) C4'-P energy: -99.317 bonds (distance) P-C4' energy: -110.201 flat angles C4'-P-C4' energy: -86.368 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: 8.765 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: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -509.549505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.549505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.549505 (E_RNA) where: Base-Base interactions energy: -198.928 where: short stacking energy: -132.146 Base-Backbone interact. energy: 9.283 local terms energy: -319.904736 where: bonds (distance) C4'-P energy: -103.982 bonds (distance) P-C4' energy: -98.629 flat angles C4'-P-C4' energy: -85.163 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: 18.868 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: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1977.837192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.837192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.837192 (E_RNA) where: Base-Base interactions energy: -1352.425 where: short stacking energy: -541.407 Base-Backbone interact. energy: -0.160 local terms energy: -625.252931 where: bonds (distance) C4'-P energy: -125.009 bonds (distance) P-C4' energy: -131.145 flat angles C4'-P-C4' energy: -137.397 flat angles P-C4'-P energy: -85.093 tors. eta vs tors. theta energy: -146.609 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: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1760.223196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.223196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.223196 (E_RNA) where: Base-Base interactions energy: -1170.204 where: short stacking energy: -513.295 Base-Backbone interact. energy: 4.119 local terms energy: -594.138022 where: bonds (distance) C4'-P energy: -120.033 bonds (distance) P-C4' energy: -127.613 flat angles C4'-P-C4' energy: -127.555 flat angles P-C4'-P energy: -84.260 tors. eta vs tors. theta energy: -134.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1702.643042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.643042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.643042 (E_RNA) where: Base-Base interactions energy: -1118.708 where: short stacking energy: -511.126 Base-Backbone interact. energy: 2.307 local terms energy: -586.241396 where: bonds (distance) C4'-P energy: -117.113 bonds (distance) P-C4' energy: -114.073 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -89.644 tors. eta vs tors. theta energy: -133.045 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: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1657.106392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.106392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.106392 (E_RNA) where: Base-Base interactions energy: -1074.165 where: short stacking energy: -493.693 Base-Backbone interact. energy: -1.635 local terms energy: -581.307085 where: bonds (distance) C4'-P energy: -116.216 bonds (distance) P-C4' energy: -112.404 flat angles C4'-P-C4' energy: -123.666 flat angles P-C4'-P energy: -91.614 tors. eta vs tors. theta energy: -137.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1366.567500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.567500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.567500 (E_RNA) where: Base-Base interactions energy: -839.907 where: short stacking energy: -387.984 Base-Backbone interact. energy: -1.786 local terms energy: -524.874979 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -98.920 flat angles C4'-P-C4' energy: -121.410 flat angles P-C4'-P energy: -74.901 tors. eta vs tors. theta energy: -106.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1269.392407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.392407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.392407 (E_RNA) where: Base-Base interactions energy: -804.045 where: short stacking energy: -374.121 Base-Backbone interact. energy: -2.017 local terms energy: -463.329639 where: bonds (distance) C4'-P energy: -105.535 bonds (distance) P-C4' energy: -100.645 flat angles C4'-P-C4' energy: -110.716 flat angles P-C4'-P energy: -70.589 tors. eta vs tors. theta energy: -75.845 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: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1011.258372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.258372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.258372 (E_RNA) where: Base-Base interactions energy: -590.570 where: short stacking energy: -291.929 Base-Backbone interact. energy: -0.002 local terms energy: -420.685972 where: bonds (distance) C4'-P energy: -88.232 bonds (distance) P-C4' energy: -109.604 flat angles C4'-P-C4' energy: -110.918 flat angles P-C4'-P energy: -62.507 tors. eta vs tors. theta energy: -49.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -630.288286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.288286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.288286 (E_RNA) where: Base-Base interactions energy: -268.567 where: short stacking energy: -184.580 Base-Backbone interact. energy: -1.629 local terms energy: -360.092404 where: bonds (distance) C4'-P energy: -97.579 bonds (distance) P-C4' energy: -108.380 flat angles C4'-P-C4' energy: -101.879 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -3.321 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -512.424829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.424829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.424829 (E_RNA) where: Base-Base interactions energy: -194.940 where: short stacking energy: -167.437 Base-Backbone interact. energy: -3.638 local terms energy: -313.846614 where: bonds (distance) C4'-P energy: -80.557 bonds (distance) P-C4' energy: -95.621 flat angles C4'-P-C4' energy: -85.210 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: 3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -582.208729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.208729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.208729 (E_RNA) where: Base-Base interactions energy: -249.693 where: short stacking energy: -166.902 Base-Backbone interact. energy: -3.862 local terms energy: -328.653952 where: bonds (distance) C4'-P energy: -86.678 bonds (distance) P-C4' energy: -106.232 flat angles C4'-P-C4' energy: -105.167 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: 14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1967.836542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.836542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.836542 (E_RNA) where: Base-Base interactions energy: -1365.445 where: short stacking energy: -563.700 Base-Backbone interact. energy: -3.656 local terms energy: -598.735396 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -107.710 flat angles C4'-P-C4' energy: -135.630 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -149.717 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: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1748.911614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.911614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.911614 (E_RNA) where: Base-Base interactions energy: -1176.776 where: short stacking energy: -528.412 Base-Backbone interact. energy: -1.358 local terms energy: -570.777410 where: bonds (distance) C4'-P energy: -111.823 bonds (distance) P-C4' energy: -119.063 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -65.645 tors. eta vs tors. theta energy: -138.579 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: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1717.812199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.812199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.812199 (E_RNA) where: Base-Base interactions energy: -1115.098 where: short stacking energy: -502.159 Base-Backbone interact. energy: -1.638 local terms energy: -601.075605 where: bonds (distance) C4'-P energy: -106.722 bonds (distance) P-C4' energy: -122.047 flat angles C4'-P-C4' energy: -129.527 flat angles P-C4'-P energy: -89.896 tors. eta vs tors. theta energy: -152.883 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: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1658.665210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.665210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.665210 (E_RNA) where: Base-Base interactions energy: -1110.693 where: short stacking energy: -473.910 Base-Backbone interact. energy: 2.493 local terms energy: -550.464652 where: bonds (distance) C4'-P energy: -110.957 bonds (distance) P-C4' energy: -121.116 flat angles C4'-P-C4' energy: -120.482 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -134.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1395.355624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.355624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.355624 (E_RNA) where: Base-Base interactions energy: -874.431 where: short stacking energy: -388.275 Base-Backbone interact. energy: -2.958 local terms energy: -517.966682 where: bonds (distance) C4'-P energy: -105.801 bonds (distance) P-C4' energy: -107.990 flat angles C4'-P-C4' energy: -121.380 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -115.538 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: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1277.176567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.176567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.176567 (E_RNA) where: Base-Base interactions energy: -792.102 where: short stacking energy: -364.473 Base-Backbone interact. energy: -2.486 local terms energy: -482.588507 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -117.597 flat angles C4'-P-C4' energy: -122.956 flat angles P-C4'-P energy: -70.058 tors. eta vs tors. theta energy: -83.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -972.378427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.378427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.378427 (E_RNA) where: Base-Base interactions energy: -553.794 where: short stacking energy: -276.819 Base-Backbone interact. energy: -4.005 local terms energy: -414.579606 where: bonds (distance) C4'-P energy: -114.022 bonds (distance) P-C4' energy: -93.184 flat angles C4'-P-C4' energy: -87.298 flat angles P-C4'-P energy: -67.113 tors. eta vs tors. theta energy: -52.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -601.126962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.126962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.126962 (E_RNA) where: Base-Base interactions energy: -259.724 where: short stacking energy: -161.193 Base-Backbone interact. energy: 1.147 local terms energy: -342.549944 where: bonds (distance) C4'-P energy: -84.970 bonds (distance) P-C4' energy: -115.943 flat angles C4'-P-C4' energy: -72.426 flat angles P-C4'-P energy: -69.355 tors. eta vs tors. theta energy: 0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -524.909076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.909076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.909076 (E_RNA) where: Base-Base interactions energy: -188.287 where: short stacking energy: -142.598 Base-Backbone interact. energy: 1.922 local terms energy: -338.543464 where: bonds (distance) C4'-P energy: -106.290 bonds (distance) P-C4' energy: -107.877 flat angles C4'-P-C4' energy: -97.589 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: 15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -502.145804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.145804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.145804 (E_RNA) where: Base-Base interactions energy: -203.036 where: short stacking energy: -138.453 Base-Backbone interact. energy: 5.190 local terms energy: -304.300175 where: bonds (distance) C4'-P energy: -104.569 bonds (distance) P-C4' energy: -83.597 flat angles C4'-P-C4' energy: -84.168 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: 18.982 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: 10 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1951.245251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.245251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.245251 (E_RNA) where: Base-Base interactions energy: -1375.958 where: short stacking energy: -571.185 Base-Backbone interact. energy: -1.265 local terms energy: -574.022401 where: bonds (distance) C4'-P energy: -102.692 bonds (distance) P-C4' energy: -116.046 flat angles C4'-P-C4' energy: -125.784 flat angles P-C4'-P energy: -85.500 tors. eta vs tors. theta energy: -144.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1820.364491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.364491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.364491 (E_RNA) where: Base-Base interactions energy: -1202.495 where: short stacking energy: -538.415 Base-Backbone interact. energy: -1.547 local terms energy: -616.322412 where: bonds (distance) C4'-P energy: -127.653 bonds (distance) P-C4' energy: -113.036 flat angles C4'-P-C4' energy: -125.515 flat angles P-C4'-P energy: -101.716 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: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1746.748615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.748615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.748615 (E_RNA) where: Base-Base interactions energy: -1178.367 where: short stacking energy: -468.863 Base-Backbone interact. energy: -3.587 local terms energy: -564.793996 where: bonds (distance) C4'-P energy: -110.242 bonds (distance) P-C4' energy: -120.770 flat angles C4'-P-C4' energy: -120.293 flat angles P-C4'-P energy: -90.795 tors. eta vs tors. theta energy: -122.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1644.159859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.159859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.159859 (E_RNA) where: Base-Base interactions energy: -1105.741 where: short stacking energy: -468.877 Base-Backbone interact. energy: -1.845 local terms energy: -536.573570 where: bonds (distance) C4'-P energy: -119.981 bonds (distance) P-C4' energy: -115.873 flat angles C4'-P-C4' energy: -119.912 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -127.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1441.635970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.635970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.635970 (E_RNA) where: Base-Base interactions energy: -895.452 where: short stacking energy: -433.339 Base-Backbone interact. energy: 1.193 local terms energy: -547.376626 where: bonds (distance) C4'-P energy: -96.474 bonds (distance) P-C4' energy: -122.663 flat angles C4'-P-C4' energy: -132.170 flat angles P-C4'-P energy: -78.438 tors. eta vs tors. theta energy: -117.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1250.367753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.367753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.367753 (E_RNA) where: Base-Base interactions energy: -788.958 where: short stacking energy: -357.827 Base-Backbone interact. energy: -1.670 local terms energy: -459.740644 where: bonds (distance) C4'-P energy: -101.998 bonds (distance) P-C4' energy: -116.660 flat angles C4'-P-C4' energy: -103.695 flat angles P-C4'-P energy: -71.037 tors. eta vs tors. theta energy: -66.350 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -939.584489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.584489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.584489 (E_RNA) where: Base-Base interactions energy: -541.997 where: short stacking energy: -289.108 Base-Backbone interact. energy: -1.203 local terms energy: -396.384019 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -106.000 flat angles C4'-P-C4' energy: -90.247 flat angles P-C4'-P energy: -55.399 tors. eta vs tors. theta energy: -50.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -826.026080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.026080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.026080 (E_RNA) where: Base-Base interactions energy: -440.237 where: short stacking energy: -235.786 Base-Backbone interact. energy: -3.815 local terms energy: -381.973639 where: bonds (distance) C4'-P energy: -99.250 bonds (distance) P-C4' energy: -95.354 flat angles C4'-P-C4' energy: -113.321 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -527.876216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.876216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.876216 (E_RNA) where: Base-Base interactions energy: -197.326 where: short stacking energy: -155.589 Base-Backbone interact. energy: -1.589 local terms energy: -328.960991 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -106.551 flat angles C4'-P-C4' energy: -66.672 flat angles P-C4'-P energy: -69.748 tors. eta vs tors. theta energy: 9.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -494.242968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.242968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.242968 (E_RNA) where: Base-Base interactions energy: -158.891 where: short stacking energy: -118.832 Base-Backbone interact. energy: -2.215 local terms energy: -333.136574 where: bonds (distance) C4'-P energy: -99.797 bonds (distance) P-C4' energy: -109.362 flat angles C4'-P-C4' energy: -86.794 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: 16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2004.729361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.729361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.729361 (E_RNA) where: Base-Base interactions energy: -1373.026 where: short stacking energy: -584.574 Base-Backbone interact. energy: -6.562 local terms energy: -625.141610 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -142.884 flat angles P-C4'-P energy: -94.754 tors. eta vs tors. theta energy: -157.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1786.851457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.851457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.851457 (E_RNA) where: Base-Base interactions energy: -1193.574 where: short stacking energy: -540.793 Base-Backbone interact. energy: 0.356 local terms energy: -593.633256 where: bonds (distance) C4'-P energy: -119.070 bonds (distance) P-C4' energy: -114.691 flat angles C4'-P-C4' energy: -125.097 flat angles P-C4'-P energy: -85.627 tors. eta vs tors. theta energy: -149.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1714.092638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.092638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.092638 (E_RNA) where: Base-Base interactions energy: -1147.208 where: short stacking energy: -473.261 Base-Backbone interact. energy: -0.968 local terms energy: -565.916827 where: bonds (distance) C4'-P energy: -123.222 bonds (distance) P-C4' energy: -113.022 flat angles C4'-P-C4' energy: -127.672 flat angles P-C4'-P energy: -85.475 tors. eta vs tors. theta energy: -116.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1654.959713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.959713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.959713 (E_RNA) where: Base-Base interactions energy: -1086.044 where: short stacking energy: -485.937 Base-Backbone interact. energy: 0.986 local terms energy: -569.901726 where: bonds (distance) C4'-P energy: -115.657 bonds (distance) P-C4' energy: -111.218 flat angles C4'-P-C4' energy: -134.530 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -126.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1383.215061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.215061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.215061 (E_RNA) where: Base-Base interactions energy: -885.300 where: short stacking energy: -388.613 Base-Backbone interact. energy: -2.879 local terms energy: -495.036319 where: bonds (distance) C4'-P energy: -110.113 bonds (distance) P-C4' energy: -108.167 flat angles C4'-P-C4' energy: -113.942 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -87.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1271.809614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.809614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.809614 (E_RNA) where: Base-Base interactions energy: -780.414 where: short stacking energy: -372.940 Base-Backbone interact. energy: 2.152 local terms energy: -493.547173 where: bonds (distance) C4'-P energy: -97.902 bonds (distance) P-C4' energy: -103.427 flat angles C4'-P-C4' energy: -111.731 flat angles P-C4'-P energy: -91.121 tors. eta vs tors. theta energy: -89.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -907.043153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.043153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.043153 (E_RNA) where: Base-Base interactions energy: -505.603 where: short stacking energy: -253.784 Base-Backbone interact. energy: -3.243 local terms energy: -398.197252 where: bonds (distance) C4'-P energy: -101.967 bonds (distance) P-C4' energy: -127.805 flat angles C4'-P-C4' energy: -104.872 flat angles P-C4'-P energy: -48.068 tors. eta vs tors. theta energy: -15.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -710.436044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.436044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.436044 (E_RNA) where: Base-Base interactions energy: -377.393 where: short stacking energy: -193.870 Base-Backbone interact. energy: 1.524 local terms energy: -334.567180 where: bonds (distance) C4'-P energy: -98.398 bonds (distance) P-C4' energy: -107.416 flat angles C4'-P-C4' energy: -92.618 flat angles P-C4'-P energy: -31.928 tors. eta vs tors. theta energy: -4.207 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: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -532.966883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.966883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.966883 (E_RNA) where: Base-Base interactions energy: -217.139 where: short stacking energy: -154.612 Base-Backbone interact. energy: 8.345 local terms energy: -324.173554 where: bonds (distance) C4'-P energy: -108.128 bonds (distance) P-C4' energy: -100.116 flat angles C4'-P-C4' energy: -93.210 flat angles P-C4'-P energy: -37.856 tors. eta vs tors. theta energy: 15.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -464.526422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.526422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.526422 (E_RNA) where: Base-Base interactions energy: -161.438 where: short stacking energy: -121.233 Base-Backbone interact. energy: 0.668 local terms energy: -303.756997 where: bonds (distance) C4'-P energy: -100.440 bonds (distance) P-C4' energy: -83.914 flat angles C4'-P-C4' energy: -87.223 flat angles P-C4'-P energy: -32.204 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2034.295509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.295509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.295509 (E_RNA) where: Base-Base interactions energy: -1385.961 where: short stacking energy: -589.136 Base-Backbone interact. energy: -4.435 local terms energy: -643.899558 where: bonds (distance) C4'-P energy: -121.836 bonds (distance) P-C4' energy: -126.205 flat angles C4'-P-C4' energy: -144.811 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -165.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1808.604835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.604835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.604835 (E_RNA) where: Base-Base interactions energy: -1209.438 where: short stacking energy: -516.752 Base-Backbone interact. energy: 1.150 local terms energy: -600.316106 where: bonds (distance) C4'-P energy: -128.671 bonds (distance) P-C4' energy: -114.839 flat angles C4'-P-C4' energy: -132.884 flat angles P-C4'-P energy: -84.666 tors. eta vs tors. theta energy: -139.255 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: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1655.431059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.431059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.431059 (E_RNA) where: Base-Base interactions energy: -1081.673 where: short stacking energy: -461.227 Base-Backbone interact. energy: -2.285 local terms energy: -571.473170 where: bonds (distance) C4'-P energy: -109.669 bonds (distance) P-C4' energy: -120.438 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -123.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1578.988363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.988363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.988363 (E_RNA) where: Base-Base interactions energy: -1029.380 where: short stacking energy: -449.395 Base-Backbone interact. energy: -2.130 local terms energy: -547.478078 where: bonds (distance) C4'-P energy: -108.829 bonds (distance) P-C4' energy: -103.380 flat angles C4'-P-C4' energy: -130.821 flat angles P-C4'-P energy: -75.893 tors. eta vs tors. theta energy: -128.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1371.736969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.736969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.736969 (E_RNA) where: Base-Base interactions energy: -822.472 where: short stacking energy: -389.206 Base-Backbone interact. energy: -5.102 local terms energy: -544.162799 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -115.586 flat angles C4'-P-C4' energy: -126.005 flat angles P-C4'-P energy: -83.277 tors. eta vs tors. theta energy: -100.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1258.511101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.511101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.511101 (E_RNA) where: Base-Base interactions energy: -766.123 where: short stacking energy: -365.846 Base-Backbone interact. energy: -2.925 local terms energy: -489.463307 where: bonds (distance) C4'-P energy: -107.034 bonds (distance) P-C4' energy: -119.552 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -75.697 tors. eta vs tors. theta energy: -85.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -915.971103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.971103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.971103 (E_RNA) where: Base-Base interactions energy: -512.563 where: short stacking energy: -286.816 Base-Backbone interact. energy: -0.501 local terms energy: -402.906967 where: bonds (distance) C4'-P energy: -94.771 bonds (distance) P-C4' energy: -114.239 flat angles C4'-P-C4' energy: -95.510 flat angles P-C4'-P energy: -51.188 tors. eta vs tors. theta energy: -47.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -761.916142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.916142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.916142 (E_RNA) where: Base-Base interactions energy: -358.618 where: short stacking energy: -231.352 Base-Backbone interact. energy: -0.585 local terms energy: -402.713970 where: bonds (distance) C4'-P energy: -94.789 bonds (distance) P-C4' energy: -86.130 flat angles C4'-P-C4' energy: -111.825 flat angles P-C4'-P energy: -75.283 tors. eta vs tors. theta energy: -34.687 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: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -516.779782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.779782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.779782 (E_RNA) where: Base-Base interactions energy: -162.827 where: short stacking energy: -131.601 Base-Backbone interact. energy: -1.231 local terms energy: -352.722104 where: bonds (distance) C4'-P energy: -98.821 bonds (distance) P-C4' energy: -113.541 flat angles C4'-P-C4' energy: -107.231 flat angles P-C4'-P energy: -46.486 tors. eta vs tors. theta energy: 13.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -483.781174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.781174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.781174 (E_RNA) where: Base-Base interactions energy: -179.022 where: short stacking energy: -141.709 Base-Backbone interact. energy: -0.011 local terms energy: -304.748141 where: bonds (distance) C4'-P energy: -90.397 bonds (distance) P-C4' energy: -102.791 flat angles C4'-P-C4' energy: -102.687 flat angles P-C4'-P energy: -35.574 tors. eta vs tors. theta energy: 26.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1952.169643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.169643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.169643 (E_RNA) where: Base-Base interactions energy: -1334.185 where: short stacking energy: -536.562 Base-Backbone interact. energy: -5.143 local terms energy: -612.842246 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -131.814 flat angles C4'-P-C4' energy: -132.469 flat angles P-C4'-P energy: -93.603 tors. eta vs tors. theta energy: -140.369 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: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1864.792675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.792675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.792675 (E_RNA) where: Base-Base interactions energy: -1247.318 where: short stacking energy: -549.033 Base-Backbone interact. energy: -3.733 local terms energy: -613.740908 where: bonds (distance) C4'-P energy: -121.121 bonds (distance) P-C4' energy: -134.895 flat angles C4'-P-C4' energy: -135.278 flat angles P-C4'-P energy: -81.821 tors. eta vs tors. theta energy: -140.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1670.453363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.453363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.453363 (E_RNA) where: Base-Base interactions energy: -1097.314 where: short stacking energy: -454.687 Base-Backbone interact. energy: -3.827 local terms energy: -569.313034 where: bonds (distance) C4'-P energy: -123.597 bonds (distance) P-C4' energy: -115.317 flat angles C4'-P-C4' energy: -113.228 flat angles P-C4'-P energy: -94.953 tors. eta vs tors. theta energy: -122.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1585.736167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.736167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.736167 (E_RNA) where: Base-Base interactions energy: -1047.260 where: short stacking energy: -446.033 Base-Backbone interact. energy: -3.068 local terms energy: -535.407809 where: bonds (distance) C4'-P energy: -116.312 bonds (distance) P-C4' energy: -117.950 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -113.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1399.191408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.191408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.191408 (E_RNA) where: Base-Base interactions energy: -885.645 where: short stacking energy: -385.725 Base-Backbone interact. energy: -0.251 local terms energy: -513.295755 where: bonds (distance) C4'-P energy: -109.999 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -115.521 flat angles P-C4'-P energy: -71.879 tors. eta vs tors. theta energy: -97.659 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: 8 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1254.470533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.470533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.470533 (E_RNA) where: Base-Base interactions energy: -782.919 where: short stacking energy: -367.359 Base-Backbone interact. energy: -1.381 local terms energy: -470.170037 where: bonds (distance) C4'-P energy: -101.099 bonds (distance) P-C4' energy: -102.503 flat angles C4'-P-C4' energy: -114.468 flat angles P-C4'-P energy: -74.277 tors. eta vs tors. theta energy: -77.824 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: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -951.095257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.095257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.095257 (E_RNA) where: Base-Base interactions energy: -546.745 where: short stacking energy: -307.280 Base-Backbone interact. energy: 4.555 local terms energy: -408.905758 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -101.510 flat angles C4'-P-C4' energy: -95.175 flat angles P-C4'-P energy: -57.616 tors. eta vs tors. theta energy: -60.284 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: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -698.630382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.630382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.630382 (E_RNA) where: Base-Base interactions energy: -353.852 where: short stacking energy: -191.395 Base-Backbone interact. energy: 2.164 local terms energy: -346.942432 where: bonds (distance) C4'-P energy: -102.314 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -94.122 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: 1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -500.037586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.037586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.037586 (E_RNA) where: Base-Base interactions energy: -200.467 where: short stacking energy: -131.207 Base-Backbone interact. energy: 4.237 local terms energy: -303.808132 where: bonds (distance) C4'-P energy: -90.432 bonds (distance) P-C4' energy: -107.335 flat angles C4'-P-C4' energy: -91.792 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: 31.863 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: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -475.309935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.309935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.309935 (E_RNA) where: Base-Base interactions energy: -191.265 where: short stacking energy: -148.377 Base-Backbone interact. energy: 1.124 local terms energy: -285.169132 where: bonds (distance) C4'-P energy: -98.280 bonds (distance) P-C4' energy: -87.331 flat angles C4'-P-C4' energy: -87.810 flat angles P-C4'-P energy: -28.050 tors. eta vs tors. theta energy: 16.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2000.151924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.151924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.151924 (E_RNA) where: Base-Base interactions energy: -1381.856 where: short stacking energy: -580.250 Base-Backbone interact. energy: -3.954 local terms energy: -614.341530 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -119.538 flat angles C4'-P-C4' energy: -122.490 flat angles P-C4'-P energy: -97.014 tors. eta vs tors. theta energy: -162.970 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: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1857.253598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.253598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.253598 (E_RNA) where: Base-Base interactions energy: -1279.169 where: short stacking energy: -546.791 Base-Backbone interact. energy: 2.742 local terms energy: -580.826594 where: bonds (distance) C4'-P energy: -96.851 bonds (distance) P-C4' energy: -118.479 flat angles C4'-P-C4' energy: -120.414 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -155.525 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1672.838008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.838008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.838008 (E_RNA) where: Base-Base interactions energy: -1091.290 where: short stacking energy: -437.807 Base-Backbone interact. energy: -1.971 local terms energy: -579.577262 where: bonds (distance) C4'-P energy: -123.694 bonds (distance) P-C4' energy: -112.941 flat angles C4'-P-C4' energy: -132.983 flat angles P-C4'-P energy: -82.555 tors. eta vs tors. theta energy: -127.404 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: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1600.674744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.674744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.674744 (E_RNA) where: Base-Base interactions energy: -1056.198 where: short stacking energy: -454.466 Base-Backbone interact. energy: -2.153 local terms energy: -542.323509 where: bonds (distance) C4'-P energy: -91.553 bonds (distance) P-C4' energy: -130.428 flat angles C4'-P-C4' energy: -124.496 flat angles P-C4'-P energy: -83.426 tors. eta vs tors. theta energy: -112.421 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: 5, replica: 3 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1424.157172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.157172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.157172 (E_RNA) where: Base-Base interactions energy: -899.425 where: short stacking energy: -435.268 Base-Backbone interact. energy: -2.548 local terms energy: -522.184532 where: bonds (distance) C4'-P energy: -104.128 bonds (distance) P-C4' energy: -104.432 flat angles C4'-P-C4' energy: -113.152 flat angles P-C4'-P energy: -74.809 tors. eta vs tors. theta energy: -125.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1260.967902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.967902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.967902 (E_RNA) where: Base-Base interactions energy: -793.691 where: short stacking energy: -374.249 Base-Backbone interact. energy: 1.250 local terms energy: -468.527118 where: bonds (distance) C4'-P energy: -105.323 bonds (distance) P-C4' energy: -116.251 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -69.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1031.897759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.897759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.897759 (E_RNA) where: Base-Base interactions energy: -614.437 where: short stacking energy: -333.766 Base-Backbone interact. energy: 2.925 local terms energy: -420.384807 where: bonds (distance) C4'-P energy: -94.731 bonds (distance) P-C4' energy: -100.802 flat angles C4'-P-C4' energy: -92.902 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -73.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -715.425192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.425192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.425192 (E_RNA) where: Base-Base interactions energy: -349.351 where: short stacking energy: -198.730 Base-Backbone interact. energy: -1.762 local terms energy: -364.311910 where: bonds (distance) C4'-P energy: -110.471 bonds (distance) P-C4' energy: -106.781 flat angles C4'-P-C4' energy: -83.716 flat angles P-C4'-P energy: -51.355 tors. eta vs tors. theta energy: -11.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -515.646706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.646706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.646706 (E_RNA) where: Base-Base interactions energy: -195.429 where: short stacking energy: -148.009 Base-Backbone interact. energy: -1.570 local terms energy: -318.647267 where: bonds (distance) C4'-P energy: -91.588 bonds (distance) P-C4' energy: -111.165 flat angles C4'-P-C4' energy: -78.555 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: 0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -478.285597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.285597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.285597 (E_RNA) where: Base-Base interactions energy: -174.026 where: short stacking energy: -139.982 Base-Backbone interact. energy: 1.380 local terms energy: -305.639483 where: bonds (distance) C4'-P energy: -98.561 bonds (distance) P-C4' energy: -94.011 flat angles C4'-P-C4' energy: -86.528 flat angles P-C4'-P energy: -54.824 tors. eta vs tors. theta energy: 28.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2022.724482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.724482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.724482 (E_RNA) where: Base-Base interactions energy: -1368.319 where: short stacking energy: -583.239 Base-Backbone interact. energy: -4.667 local terms energy: -649.738639 where: bonds (distance) C4'-P energy: -123.825 bonds (distance) P-C4' energy: -119.496 flat angles C4'-P-C4' energy: -146.099 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -166.379 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: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1849.067795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.067795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.067795 (E_RNA) where: Base-Base interactions energy: -1252.476 where: short stacking energy: -504.940 Base-Backbone interact. energy: 0.246 local terms energy: -596.837204 where: bonds (distance) C4'-P energy: -118.485 bonds (distance) P-C4' energy: -111.940 flat angles C4'-P-C4' energy: -125.414 flat angles P-C4'-P energy: -83.815 tors. eta vs tors. theta energy: -157.184 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: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1692.332288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.332288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.332288 (E_RNA) where: Base-Base interactions energy: -1125.174 where: short stacking energy: -465.151 Base-Backbone interact. energy: -1.216 local terms energy: -565.942660 where: bonds (distance) C4'-P energy: -105.746 bonds (distance) P-C4' energy: -115.557 flat angles C4'-P-C4' energy: -137.561 flat angles P-C4'-P energy: -80.227 tors. eta vs tors. theta energy: -126.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1620.183841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.183841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.183841 (E_RNA) where: Base-Base interactions energy: -1069.042 where: short stacking energy: -444.893 Base-Backbone interact. energy: -3.866 local terms energy: -547.275952 where: bonds (distance) C4'-P energy: -117.887 bonds (distance) P-C4' energy: -120.860 flat angles C4'-P-C4' energy: -118.014 flat angles P-C4'-P energy: -73.256 tors. eta vs tors. theta energy: -117.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1476.839253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.839253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.839253 (E_RNA) where: Base-Base interactions energy: -921.816 where: short stacking energy: -408.901 Base-Backbone interact. energy: 0.294 local terms energy: -555.317037 where: bonds (distance) C4'-P energy: -112.399 bonds (distance) P-C4' energy: -117.365 flat angles C4'-P-C4' energy: -118.716 flat angles P-C4'-P energy: -98.624 tors. eta vs tors. theta energy: -108.212 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: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1244.998960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.998960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.998960 (E_RNA) where: Base-Base interactions energy: -789.810 where: short stacking energy: -374.491 Base-Backbone interact. energy: 2.530 local terms energy: -457.719376 where: bonds (distance) C4'-P energy: -99.228 bonds (distance) P-C4' energy: -109.644 flat angles C4'-P-C4' energy: -112.915 flat angles P-C4'-P energy: -65.142 tors. eta vs tors. theta energy: -70.791 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: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -996.642877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.642877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.642877 (E_RNA) where: Base-Base interactions energy: -560.653 where: short stacking energy: -287.789 Base-Backbone interact. energy: 1.719 local terms energy: -437.709455 where: bonds (distance) C4'-P energy: -100.388 bonds (distance) P-C4' energy: -116.511 flat angles C4'-P-C4' energy: -87.488 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -62.614 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: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -731.762036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.762036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.762036 (E_RNA) where: Base-Base interactions energy: -369.163 where: short stacking energy: -208.270 Base-Backbone interact. energy: 1.561 local terms energy: -364.159593 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -106.087 flat angles C4'-P-C4' energy: -98.679 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: -24.962 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: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -505.451843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.451843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.451843 (E_RNA) where: Base-Base interactions energy: -170.977 where: short stacking energy: -134.315 Base-Backbone interact. energy: -1.797 local terms energy: -332.677628 where: bonds (distance) C4'-P energy: -103.336 bonds (distance) P-C4' energy: -110.445 flat angles C4'-P-C4' energy: -84.599 flat angles P-C4'-P energy: -59.354 tors. eta vs tors. theta energy: 25.057 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: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -547.783757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.783757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.783757 (E_RNA) where: Base-Base interactions energy: -248.385 where: short stacking energy: -137.284 Base-Backbone interact. energy: -3.321 local terms energy: -296.078308 where: bonds (distance) C4'-P energy: -89.789 bonds (distance) P-C4' energy: -116.869 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -49.997 tors. eta vs tors. theta energy: 35.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2061.669933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.669933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.669933 (E_RNA) where: Base-Base interactions energy: -1408.740 where: short stacking energy: -596.655 Base-Backbone interact. energy: -2.665 local terms energy: -650.265523 where: bonds (distance) C4'-P energy: -128.399 bonds (distance) P-C4' energy: -124.278 flat angles C4'-P-C4' energy: -145.075 flat angles P-C4'-P energy: -85.034 tors. eta vs tors. theta energy: -167.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1857.404773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.404773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.404773 (E_RNA) where: Base-Base interactions energy: -1241.981 where: short stacking energy: -545.766 Base-Backbone interact. energy: -1.160 local terms energy: -614.264386 where: bonds (distance) C4'-P energy: -120.929 bonds (distance) P-C4' energy: -114.787 flat angles C4'-P-C4' energy: -130.999 flat angles P-C4'-P energy: -92.856 tors. eta vs tors. theta energy: -154.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1664.992081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.992081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.992081 (E_RNA) where: Base-Base interactions energy: -1104.955 where: short stacking energy: -489.375 Base-Backbone interact. energy: -1.706 local terms energy: -558.331138 where: bonds (distance) C4'-P energy: -109.493 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -117.507 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -127.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1616.389012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.389012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.389012 (E_RNA) where: Base-Base interactions energy: -1076.559 where: short stacking energy: -453.804 Base-Backbone interact. energy: -0.601 local terms energy: -539.229046 where: bonds (distance) C4'-P energy: -108.359 bonds (distance) P-C4' energy: -118.780 flat angles C4'-P-C4' energy: -114.363 flat angles P-C4'-P energy: -72.910 tors. eta vs tors. theta energy: -124.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1550.943173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.943173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.943173 (E_RNA) where: Base-Base interactions energy: -980.750 where: short stacking energy: -438.634 Base-Backbone interact. energy: -0.197 local terms energy: -569.996400 where: bonds (distance) C4'-P energy: -118.438 bonds (distance) P-C4' energy: -110.173 flat angles C4'-P-C4' energy: -129.161 flat angles P-C4'-P energy: -79.365 tors. eta vs tors. theta energy: -132.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1356.658721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.658721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.658721 (E_RNA) where: Base-Base interactions energy: -862.762 where: short stacking energy: -391.700 Base-Backbone interact. energy: 4.297 local terms energy: -498.193487 where: bonds (distance) C4'-P energy: -98.114 bonds (distance) P-C4' energy: -109.151 flat angles C4'-P-C4' energy: -119.298 flat angles P-C4'-P energy: -81.356 tors. eta vs tors. theta energy: -90.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1018.164730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.164730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.164730 (E_RNA) where: Base-Base interactions energy: -600.199 where: short stacking energy: -286.530 Base-Backbone interact. energy: -1.887 local terms energy: -416.079194 where: bonds (distance) C4'-P energy: -104.809 bonds (distance) P-C4' energy: -110.510 flat angles C4'-P-C4' energy: -78.604 flat angles P-C4'-P energy: -66.876 tors. eta vs tors. theta energy: -55.280 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: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -793.254044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.254044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.254044 (E_RNA) where: Base-Base interactions energy: -411.773 where: short stacking energy: -240.796 Base-Backbone interact. energy: -1.022 local terms energy: -380.458811 where: bonds (distance) C4'-P energy: -98.196 bonds (distance) P-C4' energy: -112.857 flat angles C4'-P-C4' energy: -87.394 flat angles P-C4'-P energy: -59.548 tors. eta vs tors. theta energy: -22.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -502.152339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.152339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.152339 (E_RNA) where: Base-Base interactions energy: -157.010 where: short stacking energy: -136.756 Base-Backbone interact. energy: 0.009 local terms energy: -345.151095 where: bonds (distance) C4'-P energy: -93.872 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -101.417 flat angles P-C4'-P energy: -44.532 tors. eta vs tors. theta energy: 7.507 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: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -544.557704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.557704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.557704 (E_RNA) where: Base-Base interactions energy: -202.210 where: short stacking energy: -121.825 Base-Backbone interact. energy: -1.509 local terms energy: -340.838622 where: bonds (distance) C4'-P energy: -110.734 bonds (distance) P-C4' energy: -115.892 flat angles C4'-P-C4' energy: -76.696 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: 19.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2070.992727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.992727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.992727 (E_RNA) where: Base-Base interactions energy: -1416.611 where: short stacking energy: -575.906 Base-Backbone interact. energy: -2.490 local terms energy: -651.892203 where: bonds (distance) C4'-P energy: -123.940 bonds (distance) P-C4' energy: -124.374 flat angles C4'-P-C4' energy: -148.388 flat angles P-C4'-P energy: -95.766 tors. eta vs tors. theta energy: -159.425 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: 42 Temperature: 0.950000 Total energy: -1893.076466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.076466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.076466 (E_RNA) where: Base-Base interactions energy: -1263.580 where: short stacking energy: -527.021 Base-Backbone interact. energy: 0.482 local terms energy: -629.979142 where: bonds (distance) C4'-P energy: -120.596 bonds (distance) P-C4' energy: -118.513 flat angles C4'-P-C4' energy: -140.920 flat angles P-C4'-P energy: -97.798 tors. eta vs tors. theta energy: -152.152 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: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1712.430186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.430186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.430186 (E_RNA) where: Base-Base interactions energy: -1117.322 where: short stacking energy: -483.004 Base-Backbone interact. energy: -3.323 local terms energy: -591.785013 where: bonds (distance) C4'-P energy: -110.752 bonds (distance) P-C4' energy: -124.765 flat angles C4'-P-C4' energy: -137.628 flat angles P-C4'-P energy: -87.016 tors. eta vs tors. theta energy: -131.623 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: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1640.481648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.481648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.481648 (E_RNA) where: Base-Base interactions energy: -1096.354 where: short stacking energy: -489.959 Base-Backbone interact. energy: 6.380 local terms energy: -550.507247 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -115.688 flat angles C4'-P-C4' energy: -109.570 flat angles P-C4'-P energy: -83.513 tors. eta vs tors. theta energy: -128.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1566.639558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.639558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.639558 (E_RNA) where: Base-Base interactions energy: -1003.237 where: short stacking energy: -435.124 Base-Backbone interact. energy: -2.980 local terms energy: -560.421863 where: bonds (distance) C4'-P energy: -121.336 bonds (distance) P-C4' energy: -120.908 flat angles C4'-P-C4' energy: -114.595 flat angles P-C4'-P energy: -81.493 tors. eta vs tors. theta energy: -122.090 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: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1322.876057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.876057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.876057 (E_RNA) where: Base-Base interactions energy: -828.992 where: short stacking energy: -379.025 Base-Backbone interact. energy: 0.901 local terms energy: -494.785042 where: bonds (distance) C4'-P energy: -113.871 bonds (distance) P-C4' energy: -113.796 flat angles C4'-P-C4' energy: -126.336 flat angles P-C4'-P energy: -55.973 tors. eta vs tors. theta energy: -84.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1039.770014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.770014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.770014 (E_RNA) where: Base-Base interactions energy: -604.052 where: short stacking energy: -267.335 Base-Backbone interact. energy: -2.075 local terms energy: -433.642957 where: bonds (distance) C4'-P energy: -102.150 bonds (distance) P-C4' energy: -113.452 flat angles C4'-P-C4' energy: -118.310 flat angles P-C4'-P energy: -55.601 tors. eta vs tors. theta energy: -44.129 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: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -784.937030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.937030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.937030 (E_RNA) where: Base-Base interactions energy: -387.653 where: short stacking energy: -209.625 Base-Backbone interact. energy: 0.014 local terms energy: -397.298379 where: bonds (distance) C4'-P energy: -105.948 bonds (distance) P-C4' energy: -115.499 flat angles C4'-P-C4' energy: -119.500 flat angles P-C4'-P energy: -41.503 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -574.497159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.497159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.497159 (E_RNA) where: Base-Base interactions energy: -230.403 where: short stacking energy: -158.873 Base-Backbone interact. energy: -2.535 local terms energy: -341.559336 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -108.861 flat angles C4'-P-C4' energy: -83.509 flat angles P-C4'-P energy: -57.572 tors. eta vs tors. theta energy: 14.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -478.892773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.892773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.892773 (E_RNA) where: Base-Base interactions energy: -161.456 where: short stacking energy: -121.108 Base-Backbone interact. energy: -2.879 local terms energy: -314.558266 where: bonds (distance) C4'-P energy: -97.332 bonds (distance) P-C4' energy: -103.727 flat angles C4'-P-C4' energy: -91.068 flat angles P-C4'-P energy: -34.194 tors. eta vs tors. theta energy: 11.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2085.263621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.263621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.263621 (E_RNA) where: Base-Base interactions energy: -1427.970 where: short stacking energy: -585.602 Base-Backbone interact. energy: -2.194 local terms energy: -655.099267 where: bonds (distance) C4'-P energy: -124.101 bonds (distance) P-C4' energy: -125.259 flat angles C4'-P-C4' energy: -139.093 flat angles P-C4'-P energy: -102.542 tors. eta vs tors. theta energy: -164.104 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: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1892.828474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.828474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.828474 (E_RNA) where: Base-Base interactions energy: -1299.987 where: short stacking energy: -539.310 Base-Backbone interact. energy: -2.850 local terms energy: -589.991369 where: bonds (distance) C4'-P energy: -115.003 bonds (distance) P-C4' energy: -118.474 flat angles C4'-P-C4' energy: -125.421 flat angles P-C4'-P energy: -81.164 tors. eta vs tors. theta energy: -149.928 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: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1701.451671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.451671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.451671 (E_RNA) where: Base-Base interactions energy: -1117.654 where: short stacking energy: -501.970 Base-Backbone interact. energy: 3.522 local terms energy: -587.320049 where: bonds (distance) C4'-P energy: -113.898 bonds (distance) P-C4' energy: -129.459 flat angles C4'-P-C4' energy: -123.511 flat angles P-C4'-P energy: -81.527 tors. eta vs tors. theta energy: -138.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1612.999380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.999380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.999380 (E_RNA) where: Base-Base interactions energy: -1053.109 where: short stacking energy: -478.926 Base-Backbone interact. energy: -1.199 local terms energy: -558.691344 where: bonds (distance) C4'-P energy: -105.091 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -128.768 flat angles P-C4'-P energy: -86.429 tors. eta vs tors. theta energy: -127.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1580.051777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.051777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.051777 (E_RNA) where: Base-Base interactions energy: -1031.071 where: short stacking energy: -450.564 Base-Backbone interact. energy: -0.163 local terms energy: -548.817998 where: bonds (distance) C4'-P energy: -113.010 bonds (distance) P-C4' energy: -108.084 flat angles C4'-P-C4' energy: -115.754 flat angles P-C4'-P energy: -83.729 tors. eta vs tors. theta energy: -128.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1377.269316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.269316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.269316 (E_RNA) where: Base-Base interactions energy: -893.178 where: short stacking energy: -361.146 Base-Backbone interact. energy: 2.453 local terms energy: -486.544334 where: bonds (distance) C4'-P energy: -119.388 bonds (distance) P-C4' energy: -113.746 flat angles C4'-P-C4' energy: -116.318 flat angles P-C4'-P energy: -47.773 tors. eta vs tors. theta energy: -89.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1029.050064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.050064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.050064 (E_RNA) where: Base-Base interactions energy: -594.882 where: short stacking energy: -279.960 Base-Backbone interact. energy: -3.225 local terms energy: -430.943109 where: bonds (distance) C4'-P energy: -93.150 bonds (distance) P-C4' energy: -111.703 flat angles C4'-P-C4' energy: -110.301 flat angles P-C4'-P energy: -63.288 tors. eta vs tors. theta energy: -52.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -803.474620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.474620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.474620 (E_RNA) where: Base-Base interactions energy: -445.798 where: short stacking energy: -240.856 Base-Backbone interact. energy: 1.484 local terms energy: -359.160061 where: bonds (distance) C4'-P energy: -90.330 bonds (distance) P-C4' energy: -101.444 flat angles C4'-P-C4' energy: -77.622 flat angles P-C4'-P energy: -60.162 tors. eta vs tors. theta energy: -29.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -565.832984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.832984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.832984 (E_RNA) where: Base-Base interactions energy: -211.111 where: short stacking energy: -147.020 Base-Backbone interact. energy: -0.013 local terms energy: -354.708749 where: bonds (distance) C4'-P energy: -116.062 bonds (distance) P-C4' energy: -107.706 flat angles C4'-P-C4' energy: -100.364 flat angles P-C4'-P energy: -51.601 tors. eta vs tors. theta energy: 21.024 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: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -495.019548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.019548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.019548 (E_RNA) where: Base-Base interactions energy: -193.552 where: short stacking energy: -151.978 Base-Backbone interact. energy: -0.861 local terms energy: -300.606327 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -94.095 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: 13.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2120.845477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.845477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.845477 (E_RNA) where: Base-Base interactions energy: -1432.198 where: short stacking energy: -607.497 Base-Backbone interact. energy: -1.094 local terms energy: -687.553953 where: bonds (distance) C4'-P energy: -135.525 bonds (distance) P-C4' energy: -118.018 flat angles C4'-P-C4' energy: -145.721 flat angles P-C4'-P energy: -107.330 tors. eta vs tors. theta energy: -180.959 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: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1846.723074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.723074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.723074 (E_RNA) where: Base-Base interactions energy: -1265.894 where: short stacking energy: -539.354 Base-Backbone interact. energy: -0.995 local terms energy: -579.833993 where: bonds (distance) C4'-P energy: -115.672 bonds (distance) P-C4' energy: -105.794 flat angles C4'-P-C4' energy: -132.017 flat angles P-C4'-P energy: -79.671 tors. eta vs tors. theta energy: -146.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1725.806018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.806018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.806018 (E_RNA) where: Base-Base interactions energy: -1153.492 where: short stacking energy: -497.702 Base-Backbone interact. energy: -1.830 local terms energy: -570.483945 where: bonds (distance) C4'-P energy: -118.874 bonds (distance) P-C4' energy: -111.861 flat angles C4'-P-C4' energy: -128.113 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -131.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1599.280675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.280675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.280675 (E_RNA) where: Base-Base interactions energy: -1058.903 where: short stacking energy: -481.985 Base-Backbone interact. energy: 2.418 local terms energy: -542.795030 where: bonds (distance) C4'-P energy: -105.955 bonds (distance) P-C4' energy: -115.597 flat angles C4'-P-C4' energy: -98.608 flat angles P-C4'-P energy: -91.208 tors. eta vs tors. theta energy: -131.427 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: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1569.756951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.756951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.756951 (E_RNA) where: Base-Base interactions energy: -1025.743 where: short stacking energy: -465.203 Base-Backbone interact. energy: -1.887 local terms energy: -542.126655 where: bonds (distance) C4'-P energy: -108.545 bonds (distance) P-C4' energy: -111.670 flat angles C4'-P-C4' energy: -119.553 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -126.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1418.128636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.128636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.128636 (E_RNA) where: Base-Base interactions energy: -916.252 where: short stacking energy: -398.014 Base-Backbone interact. energy: 1.333 local terms energy: -503.210021 where: bonds (distance) C4'-P energy: -92.132 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -117.100 flat angles P-C4'-P energy: -82.581 tors. eta vs tors. theta energy: -99.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -959.329855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.329855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.329855 (E_RNA) where: Base-Base interactions energy: -561.790 where: short stacking energy: -280.321 Base-Backbone interact. energy: -0.732 local terms energy: -396.807940 where: bonds (distance) C4'-P energy: -104.418 bonds (distance) P-C4' energy: -96.142 flat angles C4'-P-C4' energy: -95.081 flat angles P-C4'-P energy: -57.326 tors. eta vs tors. theta energy: -43.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -809.962205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.962205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.962205 (E_RNA) where: Base-Base interactions energy: -413.686 where: short stacking energy: -211.356 Base-Backbone interact. energy: -2.329 local terms energy: -393.947176 where: bonds (distance) C4'-P energy: -110.033 bonds (distance) P-C4' energy: -104.797 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -65.327 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: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -492.816312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.816312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.816312 (E_RNA) where: Base-Base interactions energy: -160.665 where: short stacking energy: -127.120 Base-Backbone interact. energy: -0.399 local terms energy: -331.751626 where: bonds (distance) C4'-P energy: -98.561 bonds (distance) P-C4' energy: -102.315 flat angles C4'-P-C4' energy: -87.353 flat angles P-C4'-P energy: -62.531 tors. eta vs tors. theta energy: 19.009 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: 9 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -462.359403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.359403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.359403 (E_RNA) where: Base-Base interactions energy: -147.888 where: short stacking energy: -124.701 Base-Backbone interact. energy: 4.680 local terms energy: -319.151479 where: bonds (distance) C4'-P energy: -112.562 bonds (distance) P-C4' energy: -106.659 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -35.878 tors. eta vs tors. theta energy: 27.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2090.825494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.825494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.825494 (E_RNA) where: Base-Base interactions energy: -1459.805 where: short stacking energy: -601.690 Base-Backbone interact. energy: -1.950 local terms energy: -629.070388 where: bonds (distance) C4'-P energy: -103.857 bonds (distance) P-C4' energy: -128.459 flat angles C4'-P-C4' energy: -132.929 flat angles P-C4'-P energy: -87.476 tors. eta vs tors. theta energy: -176.350 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: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1925.613974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.613974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.613974 (E_RNA) where: Base-Base interactions energy: -1275.124 where: short stacking energy: -521.380 Base-Backbone interact. energy: -2.136 local terms energy: -648.353811 where: bonds (distance) C4'-P energy: -140.070 bonds (distance) P-C4' energy: -121.488 flat angles C4'-P-C4' energy: -137.770 flat angles P-C4'-P energy: -96.608 tors. eta vs tors. theta energy: -152.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1716.205067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.205067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.205067 (E_RNA) where: Base-Base interactions energy: -1156.913 where: short stacking energy: -469.176 Base-Backbone interact. energy: 3.271 local terms energy: -562.562317 where: bonds (distance) C4'-P energy: -116.883 bonds (distance) P-C4' energy: -130.068 flat angles C4'-P-C4' energy: -120.830 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -126.919 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1625.522923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.522923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.522923 (E_RNA) where: Base-Base interactions energy: -1061.446 where: short stacking energy: -481.224 Base-Backbone interact. energy: -0.213 local terms energy: -563.863719 where: bonds (distance) C4'-P energy: -114.511 bonds (distance) P-C4' energy: -114.780 flat angles C4'-P-C4' energy: -121.272 flat angles P-C4'-P energy: -73.890 tors. eta vs tors. theta energy: -139.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1591.179611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.179611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.179611 (E_RNA) where: Base-Base interactions energy: -1024.039 where: short stacking energy: -442.458 Base-Backbone interact. energy: -2.589 local terms energy: -564.552106 where: bonds (distance) C4'-P energy: -129.630 bonds (distance) P-C4' energy: -112.388 flat angles C4'-P-C4' energy: -131.862 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -116.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1426.200699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.200699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.200699 (E_RNA) where: Base-Base interactions energy: -932.487 where: short stacking energy: -388.865 Base-Backbone interact. energy: 1.087 local terms energy: -494.801275 where: bonds (distance) C4'-P energy: -109.703 bonds (distance) P-C4' energy: -112.310 flat angles C4'-P-C4' energy: -114.693 flat angles P-C4'-P energy: -69.086 tors. eta vs tors. theta energy: -89.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -986.584050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.584050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.584050 (E_RNA) where: Base-Base interactions energy: -559.439 where: short stacking energy: -296.894 Base-Backbone interact. energy: -3.171 local terms energy: -423.974660 where: bonds (distance) C4'-P energy: -89.029 bonds (distance) P-C4' energy: -99.763 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -75.497 tors. eta vs tors. theta energy: -51.741 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: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -927.587003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.587003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.587003 (E_RNA) where: Base-Base interactions energy: -554.188 where: short stacking energy: -298.703 Base-Backbone interact. energy: 7.495 local terms energy: -380.894391 where: bonds (distance) C4'-P energy: -97.068 bonds (distance) P-C4' energy: -110.578 flat angles C4'-P-C4' energy: -70.294 flat angles P-C4'-P energy: -59.665 tors. eta vs tors. theta energy: -43.289 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: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -497.928081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.928081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.928081 (E_RNA) where: Base-Base interactions energy: -171.607 where: short stacking energy: -163.907 Base-Backbone interact. energy: 2.195 local terms energy: -328.516150 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -103.995 flat angles C4'-P-C4' energy: -75.434 flat angles P-C4'-P energy: -59.943 tors. eta vs tors. theta energy: 4.134 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: 9 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -479.056482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.056482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.056482 (E_RNA) where: Base-Base interactions energy: -160.453 where: short stacking energy: -131.825 Base-Backbone interact. energy: -0.190 local terms energy: -318.413512 where: bonds (distance) C4'-P energy: -93.014 bonds (distance) P-C4' energy: -83.749 flat angles C4'-P-C4' energy: -90.083 flat angles P-C4'-P energy: -66.790 tors. eta vs tors. theta energy: 15.222 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: 10 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2097.745640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.745640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.745640 (E_RNA) where: Base-Base interactions energy: -1445.122 where: short stacking energy: -617.572 Base-Backbone interact. energy: -1.796 local terms energy: -650.828119 where: bonds (distance) C4'-P energy: -125.016 bonds (distance) P-C4' energy: -123.359 flat angles C4'-P-C4' energy: -142.462 flat angles P-C4'-P energy: -92.108 tors. eta vs tors. theta energy: -167.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1892.588671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.588671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.588671 (E_RNA) where: Base-Base interactions energy: -1281.768 where: short stacking energy: -529.057 Base-Backbone interact. energy: 0.654 local terms energy: -611.474394 where: bonds (distance) C4'-P energy: -130.847 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -124.839 flat angles P-C4'-P energy: -86.828 tors. eta vs tors. theta energy: -144.333 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: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1643.954134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.954134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.954134 (E_RNA) where: Base-Base interactions energy: -1079.861 where: short stacking energy: -482.182 Base-Backbone interact. energy: -0.603 local terms energy: -563.490087 where: bonds (distance) C4'-P energy: -106.205 bonds (distance) P-C4' energy: -115.758 flat angles C4'-P-C4' energy: -137.262 flat angles P-C4'-P energy: -85.288 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: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1676.984244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.984244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.984244 (E_RNA) where: Base-Base interactions energy: -1110.314 where: short stacking energy: -490.309 Base-Backbone interact. energy: -1.221 local terms energy: -565.449406 where: bonds (distance) C4'-P energy: -108.710 bonds (distance) P-C4' energy: -110.999 flat angles C4'-P-C4' energy: -124.710 flat angles P-C4'-P energy: -85.979 tors. eta vs tors. theta energy: -135.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1558.713931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.713931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.713931 (E_RNA) where: Base-Base interactions energy: -998.881 where: short stacking energy: -451.786 Base-Backbone interact. energy: -2.279 local terms energy: -557.554527 where: bonds (distance) C4'-P energy: -109.957 bonds (distance) P-C4' energy: -120.749 flat angles C4'-P-C4' energy: -121.769 flat angles P-C4'-P energy: -71.290 tors. eta vs tors. theta energy: -133.790 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: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1468.948414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.948414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.948414 (E_RNA) where: Base-Base interactions energy: -954.789 where: short stacking energy: -423.100 Base-Backbone interact. energy: -3.275 local terms energy: -510.883870 where: bonds (distance) C4'-P energy: -111.740 bonds (distance) P-C4' energy: -107.270 flat angles C4'-P-C4' energy: -121.185 flat angles P-C4'-P energy: -69.520 tors. eta vs tors. theta energy: -101.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -948.681491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.681491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.681491 (E_RNA) where: Base-Base interactions energy: -519.593 where: short stacking energy: -268.811 Base-Backbone interact. energy: -0.951 local terms energy: -428.137356 where: bonds (distance) C4'-P energy: -110.079 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -53.996 tors. eta vs tors. theta energy: -50.231 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: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -968.598825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.598825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.598825 (E_RNA) where: Base-Base interactions energy: -574.377 where: short stacking energy: -289.586 Base-Backbone interact. energy: 0.587 local terms energy: -394.808436 where: bonds (distance) C4'-P energy: -95.444 bonds (distance) P-C4' energy: -107.347 flat angles C4'-P-C4' energy: -96.983 flat angles P-C4'-P energy: -47.154 tors. eta vs tors. theta energy: -47.881 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: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -494.052818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.052818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.052818 (E_RNA) where: Base-Base interactions energy: -181.095 where: short stacking energy: -142.115 Base-Backbone interact. energy: 4.390 local terms energy: -317.347708 where: bonds (distance) C4'-P energy: -95.421 bonds (distance) P-C4' energy: -111.157 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -49.247 tors. eta vs tors. theta energy: 26.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -470.651197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.651197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.651197 (E_RNA) where: Base-Base interactions energy: -170.225 where: short stacking energy: -98.249 Base-Backbone interact. energy: -1.852 local terms energy: -298.573850 where: bonds (distance) C4'-P energy: -100.531 bonds (distance) P-C4' energy: -116.085 flat angles C4'-P-C4' energy: -73.400 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: 36.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2159.288705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.288705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.288705 (E_RNA) where: Base-Base interactions energy: -1505.756 where: short stacking energy: -608.153 Base-Backbone interact. energy: 2.428 local terms energy: -655.960328 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -126.241 flat angles C4'-P-C4' energy: -139.721 flat angles P-C4'-P energy: -98.855 tors. eta vs tors. theta energy: -175.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1909.256530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.256530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.256530 (E_RNA) where: Base-Base interactions energy: -1296.250 where: short stacking energy: -536.434 Base-Backbone interact. energy: -2.411 local terms energy: -610.594944 where: bonds (distance) C4'-P energy: -125.397 bonds (distance) P-C4' energy: -118.846 flat angles C4'-P-C4' energy: -131.241 flat angles P-C4'-P energy: -74.901 tors. eta vs tors. theta energy: -160.210 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: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1682.713215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.713215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.713215 (E_RNA) where: Base-Base interactions energy: -1136.442 where: short stacking energy: -487.749 Base-Backbone interact. energy: -0.693 local terms energy: -545.578578 where: bonds (distance) C4'-P energy: -107.889 bonds (distance) P-C4' energy: -105.723 flat angles C4'-P-C4' energy: -110.411 flat angles P-C4'-P energy: -88.666 tors. eta vs tors. theta energy: -132.888 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1714.124770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.124770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.124770 (E_RNA) where: Base-Base interactions energy: -1172.364 where: short stacking energy: -515.785 Base-Backbone interact. energy: -1.131 local terms energy: -540.629677 where: bonds (distance) C4'-P energy: -107.519 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -105.788 flat angles P-C4'-P energy: -71.281 tors. eta vs tors. theta energy: -143.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1495.810799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.810799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.810799 (E_RNA) where: Base-Base interactions energy: -999.642 where: short stacking energy: -447.502 Base-Backbone interact. energy: 0.039 local terms energy: -496.207296 where: bonds (distance) C4'-P energy: -99.509 bonds (distance) P-C4' energy: -112.610 flat angles C4'-P-C4' energy: -106.166 flat angles P-C4'-P energy: -67.790 tors. eta vs tors. theta energy: -110.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1463.439362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.439362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.439362 (E_RNA) where: Base-Base interactions energy: -955.018 where: short stacking energy: -417.094 Base-Backbone interact. energy: -1.736 local terms energy: -506.685756 where: bonds (distance) C4'-P energy: -98.723 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -116.413 flat angles P-C4'-P energy: -90.361 tors. eta vs tors. theta energy: -104.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -969.132316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.132316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.132316 (E_RNA) where: Base-Base interactions energy: -512.425 where: short stacking energy: -289.744 Base-Backbone interact. energy: -1.327 local terms energy: -455.380051 where: bonds (distance) C4'-P energy: -112.831 bonds (distance) P-C4' energy: -120.244 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -74.782 tors. eta vs tors. theta energy: -43.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -910.700379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.700379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.700379 (E_RNA) where: Base-Base interactions energy: -526.316 where: short stacking energy: -286.752 Base-Backbone interact. energy: 0.663 local terms energy: -385.047437 where: bonds (distance) C4'-P energy: -98.195 bonds (distance) P-C4' energy: -99.515 flat angles C4'-P-C4' energy: -92.450 flat angles P-C4'-P energy: -58.696 tors. eta vs tors. theta energy: -36.191 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: 5 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -506.517622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.517622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.517622 (E_RNA) where: Base-Base interactions energy: -176.278 where: short stacking energy: -154.204 Base-Backbone interact. energy: 0.641 local terms energy: -330.880312 where: bonds (distance) C4'-P energy: -103.504 bonds (distance) P-C4' energy: -98.900 flat angles C4'-P-C4' energy: -85.649 flat angles P-C4'-P energy: -54.254 tors. eta vs tors. theta energy: 11.427 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: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -466.425578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.425578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.425578 (E_RNA) where: Base-Base interactions energy: -169.657 where: short stacking energy: -126.816 Base-Backbone interact. energy: 0.434 local terms energy: -297.202139 where: bonds (distance) C4'-P energy: -95.612 bonds (distance) P-C4' energy: -100.013 flat angles C4'-P-C4' energy: -89.407 flat angles P-C4'-P energy: -36.484 tors. eta vs tors. theta energy: 24.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2119.564521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.564521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.564521 (E_RNA) where: Base-Base interactions energy: -1454.647 where: short stacking energy: -617.874 Base-Backbone interact. energy: -4.847 local terms energy: -660.070318 where: bonds (distance) C4'-P energy: -108.826 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -143.270 flat angles P-C4'-P energy: -102.742 tors. eta vs tors. theta energy: -181.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1949.023087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.023087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.023087 (E_RNA) where: Base-Base interactions energy: -1341.374 where: short stacking energy: -546.792 Base-Backbone interact. energy: -0.493 local terms energy: -607.156645 where: bonds (distance) C4'-P energy: -121.793 bonds (distance) P-C4' energy: -105.961 flat angles C4'-P-C4' energy: -127.701 flat angles P-C4'-P energy: -86.542 tors. eta vs tors. theta energy: -165.160 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: 3, replica: 3 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1782.565949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.565949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.565949 (E_RNA) where: Base-Base interactions energy: -1186.423 where: short stacking energy: -539.453 Base-Backbone interact. energy: -0.270 local terms energy: -595.872229 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -115.136 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -70.589 tors. eta vs tors. theta energy: -156.569 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: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1633.588139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.588139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.588139 (E_RNA) where: Base-Base interactions energy: -1097.617 where: short stacking energy: -447.251 Base-Backbone interact. energy: -0.685 local terms energy: -535.285920 where: bonds (distance) C4'-P energy: -114.108 bonds (distance) P-C4' energy: -108.489 flat angles C4'-P-C4' energy: -115.594 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -123.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1570.737431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.737431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.737431 (E_RNA) where: Base-Base interactions energy: -1061.399 where: short stacking energy: -469.231 Base-Backbone interact. energy: -6.130 local terms energy: -503.207680 where: bonds (distance) C4'-P energy: -111.200 bonds (distance) P-C4' energy: -97.065 flat angles C4'-P-C4' energy: -116.009 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -115.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1435.424384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.424384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.424384 (E_RNA) where: Base-Base interactions energy: -919.457 where: short stacking energy: -381.897 Base-Backbone interact. energy: -1.624 local terms energy: -514.342947 where: bonds (distance) C4'-P energy: -107.305 bonds (distance) P-C4' energy: -109.020 flat angles C4'-P-C4' energy: -99.651 flat angles P-C4'-P energy: -96.618 tors. eta vs tors. theta energy: -101.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -974.316568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.316568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.316568 (E_RNA) where: Base-Base interactions energy: -576.588 where: short stacking energy: -280.133 Base-Backbone interact. energy: 1.678 local terms energy: -399.406343 where: bonds (distance) C4'-P energy: -89.753 bonds (distance) P-C4' energy: -111.302 flat angles C4'-P-C4' energy: -76.131 flat angles P-C4'-P energy: -76.256 tors. eta vs tors. theta energy: -45.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -894.517206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.517206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.517206 (E_RNA) where: Base-Base interactions energy: -465.804 where: short stacking energy: -238.490 Base-Backbone interact. energy: 0.477 local terms energy: -429.190300 where: bonds (distance) C4'-P energy: -97.090 bonds (distance) P-C4' energy: -115.384 flat angles C4'-P-C4' energy: -110.903 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -40.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -480.968783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.968783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.968783 (E_RNA) where: Base-Base interactions energy: -171.570 where: short stacking energy: -139.563 Base-Backbone interact. energy: -0.632 local terms energy: -308.766344 where: bonds (distance) C4'-P energy: -100.697 bonds (distance) P-C4' energy: -114.272 flat angles C4'-P-C4' energy: -56.000 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: 29.830 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: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -451.895344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.895344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.895344 (E_RNA) where: Base-Base interactions energy: -144.959 where: short stacking energy: -128.424 Base-Backbone interact. energy: -2.254 local terms energy: -304.682308 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -104.332 flat angles C4'-P-C4' energy: -97.928 flat angles P-C4'-P energy: -43.779 tors. eta vs tors. theta energy: 24.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2127.410866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.410866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.410866 (E_RNA) where: Base-Base interactions energy: -1467.774 where: short stacking energy: -607.442 Base-Backbone interact. energy: 0.199 local terms energy: -659.836128 where: bonds (distance) C4'-P energy: -140.221 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -94.661 tors. eta vs tors. theta energy: -178.066 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: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1961.527138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.527138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.527138 (E_RNA) where: Base-Base interactions energy: -1332.960 where: short stacking energy: -554.322 Base-Backbone interact. energy: -3.377 local terms energy: -625.190510 where: bonds (distance) C4'-P energy: -111.997 bonds (distance) P-C4' energy: -118.205 flat angles C4'-P-C4' energy: -140.328 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -171.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1737.121590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.121590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.121590 (E_RNA) where: Base-Base interactions energy: -1150.914 where: short stacking energy: -516.141 Base-Backbone interact. energy: -2.189 local terms energy: -584.018792 where: bonds (distance) C4'-P energy: -109.304 bonds (distance) P-C4' energy: -119.704 flat angles C4'-P-C4' energy: -125.395 flat angles P-C4'-P energy: -85.043 tors. eta vs tors. theta energy: -144.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1609.617841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.617841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.617841 (E_RNA) where: Base-Base interactions energy: -1076.893 where: short stacking energy: -440.372 Base-Backbone interact. energy: -2.669 local terms energy: -530.055572 where: bonds (distance) C4'-P energy: -110.716 bonds (distance) P-C4' energy: -118.249 flat angles C4'-P-C4' energy: -128.239 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -105.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1573.114668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.114668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.114668 (E_RNA) where: Base-Base interactions energy: -1024.077 where: short stacking energy: -449.129 Base-Backbone interact. energy: 0.619 local terms energy: -549.656647 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -120.351 flat angles C4'-P-C4' energy: -113.112 flat angles P-C4'-P energy: -84.743 tors. eta vs tors. theta energy: -128.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1384.775630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.775630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.775630 (E_RNA) where: Base-Base interactions energy: -902.370 where: short stacking energy: -387.286 Base-Backbone interact. energy: -2.619 local terms energy: -479.786083 where: bonds (distance) C4'-P energy: -109.065 bonds (distance) P-C4' energy: -96.094 flat angles C4'-P-C4' energy: -103.796 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: -96.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1063.421761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.421761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.421761 (E_RNA) where: Base-Base interactions energy: -603.250 where: short stacking energy: -300.706 Base-Backbone interact. energy: 0.919 local terms energy: -461.090530 where: bonds (distance) C4'-P energy: -112.888 bonds (distance) P-C4' energy: -102.918 flat angles C4'-P-C4' energy: -111.106 flat angles P-C4'-P energy: -80.261 tors. eta vs tors. theta energy: -53.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -871.073223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.073223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.073223 (E_RNA) where: Base-Base interactions energy: -486.156 where: short stacking energy: -244.815 Base-Backbone interact. energy: 1.442 local terms energy: -386.359225 where: bonds (distance) C4'-P energy: -99.942 bonds (distance) P-C4' energy: -102.072 flat angles C4'-P-C4' energy: -92.713 flat angles P-C4'-P energy: -67.057 tors. eta vs tors. theta energy: -24.576 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -491.604828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.604828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.604828 (E_RNA) where: Base-Base interactions energy: -178.683 where: short stacking energy: -146.697 Base-Backbone interact. energy: -1.500 local terms energy: -311.422045 where: bonds (distance) C4'-P energy: -97.075 bonds (distance) P-C4' energy: -117.468 flat angles C4'-P-C4' energy: -76.092 flat angles P-C4'-P energy: -39.180 tors. eta vs tors. theta energy: 18.393 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -442.387151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.387151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.387151 (E_RNA) where: Base-Base interactions energy: -129.254 where: short stacking energy: -101.102 Base-Backbone interact. energy: -1.693 local terms energy: -311.440511 where: bonds (distance) C4'-P energy: -92.248 bonds (distance) P-C4' energy: -101.940 flat angles C4'-P-C4' energy: -82.485 flat angles P-C4'-P energy: -69.452 tors. eta vs tors. theta energy: 34.685 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: 10 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2139.536533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.536533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.536533 (E_RNA) where: Base-Base interactions energy: -1466.211 where: short stacking energy: -599.588 Base-Backbone interact. energy: 3.123 local terms energy: -676.447791 where: bonds (distance) C4'-P energy: -122.490 bonds (distance) P-C4' energy: -130.242 flat angles C4'-P-C4' energy: -141.913 flat angles P-C4'-P energy: -107.400 tors. eta vs tors. theta energy: -174.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1957.037418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.037418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.037418 (E_RNA) where: Base-Base interactions energy: -1344.219 where: short stacking energy: -557.352 Base-Backbone interact. energy: -1.375 local terms energy: -611.443191 where: bonds (distance) C4'-P energy: -110.243 bonds (distance) P-C4' energy: -115.648 flat angles C4'-P-C4' energy: -135.540 flat angles P-C4'-P energy: -89.898 tors. eta vs tors. theta energy: -160.114 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: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1744.983146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.983146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.983146 (E_RNA) where: Base-Base interactions energy: -1152.409 where: short stacking energy: -527.173 Base-Backbone interact. energy: -1.840 local terms energy: -590.733604 where: bonds (distance) C4'-P energy: -112.612 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -140.001 flat angles P-C4'-P energy: -83.774 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: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1623.366312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.366312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.366312 (E_RNA) where: Base-Base interactions energy: -1065.936 where: short stacking energy: -445.435 Base-Backbone interact. energy: -1.639 local terms energy: -555.791358 where: bonds (distance) C4'-P energy: -118.740 bonds (distance) P-C4' energy: -120.889 flat angles C4'-P-C4' energy: -126.867 flat angles P-C4'-P energy: -75.156 tors. eta vs tors. theta energy: -114.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1630.785073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.785073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.785073 (E_RNA) where: Base-Base interactions energy: -1082.661 where: short stacking energy: -474.411 Base-Backbone interact. energy: 0.739 local terms energy: -548.862649 where: bonds (distance) C4'-P energy: -102.805 bonds (distance) P-C4' energy: -124.981 flat angles C4'-P-C4' energy: -125.903 flat angles P-C4'-P energy: -68.976 tors. eta vs tors. theta energy: -126.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1404.651920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.651920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.651920 (E_RNA) where: Base-Base interactions energy: -915.349 where: short stacking energy: -395.169 Base-Backbone interact. energy: -0.617 local terms energy: -488.685692 where: bonds (distance) C4'-P energy: -116.696 bonds (distance) P-C4' energy: -106.432 flat angles C4'-P-C4' energy: -119.931 flat angles P-C4'-P energy: -56.186 tors. eta vs tors. theta energy: -89.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1115.371116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.371116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.371116 (E_RNA) where: Base-Base interactions energy: -707.119 where: short stacking energy: -327.177 Base-Backbone interact. energy: -1.175 local terms energy: -407.077115 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -102.695 flat angles C4'-P-C4' energy: -100.589 flat angles P-C4'-P energy: -44.906 tors. eta vs tors. theta energy: -50.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -843.631827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.631827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.631827 (E_RNA) where: Base-Base interactions energy: -455.896 where: short stacking energy: -253.524 Base-Backbone interact. energy: 0.455 local terms energy: -388.190435 where: bonds (distance) C4'-P energy: -86.668 bonds (distance) P-C4' energy: -120.170 flat angles C4'-P-C4' energy: -102.101 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -30.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -509.287221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.287221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.287221 (E_RNA) where: Base-Base interactions energy: -172.602 where: short stacking energy: -124.108 Base-Backbone interact. energy: -0.899 local terms energy: -335.786852 where: bonds (distance) C4'-P energy: -75.738 bonds (distance) P-C4' energy: -118.681 flat angles C4'-P-C4' energy: -105.659 flat angles P-C4'-P energy: -54.473 tors. eta vs tors. theta energy: 18.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -473.142185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.142185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.142185 (E_RNA) where: Base-Base interactions energy: -141.675 where: short stacking energy: -119.018 Base-Backbone interact. energy: -1.715 local terms energy: -329.752284 where: bonds (distance) C4'-P energy: -108.439 bonds (distance) P-C4' energy: -122.312 flat angles C4'-P-C4' energy: -79.725 flat angles P-C4'-P energy: -36.285 tors. eta vs tors. theta energy: 17.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2130.091666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.091666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.091666 (E_RNA) where: Base-Base interactions energy: -1477.166 where: short stacking energy: -594.856 Base-Backbone interact. energy: -3.763 local terms energy: -649.162906 where: bonds (distance) C4'-P energy: -110.031 bonds (distance) P-C4' energy: -132.025 flat angles C4'-P-C4' energy: -133.488 flat angles P-C4'-P energy: -97.343 tors. eta vs tors. theta energy: -176.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1911.926917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.926917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.926917 (E_RNA) where: Base-Base interactions energy: -1285.127 where: short stacking energy: -546.754 Base-Backbone interact. energy: -2.062 local terms energy: -624.737448 where: bonds (distance) C4'-P energy: -118.843 bonds (distance) P-C4' energy: -137.076 flat angles C4'-P-C4' energy: -141.360 flat angles P-C4'-P energy: -76.730 tors. eta vs tors. theta energy: -150.729 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: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1746.894410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.894410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.894410 (E_RNA) where: Base-Base interactions energy: -1160.075 where: short stacking energy: -507.790 Base-Backbone interact. energy: 0.531 local terms energy: -587.350473 where: bonds (distance) C4'-P energy: -113.439 bonds (distance) P-C4' energy: -118.088 flat angles C4'-P-C4' energy: -117.661 flat angles P-C4'-P energy: -89.779 tors. eta vs tors. theta energy: -148.383 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: 8 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1684.358387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.358387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.358387 (E_RNA) where: Base-Base interactions energy: -1119.252 where: short stacking energy: -493.649 Base-Backbone interact. energy: -1.704 local terms energy: -563.402317 where: bonds (distance) C4'-P energy: -100.294 bonds (distance) P-C4' energy: -114.871 flat angles C4'-P-C4' energy: -122.155 flat angles P-C4'-P energy: -85.880 tors. eta vs tors. theta energy: -140.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1642.482530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.482530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.482530 (E_RNA) where: Base-Base interactions energy: -1098.628 where: short stacking energy: -448.498 Base-Backbone interact. energy: -1.302 local terms energy: -542.552230 where: bonds (distance) C4'-P energy: -122.504 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -116.242 flat angles P-C4'-P energy: -82.505 tors. eta vs tors. theta energy: -122.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1374.408708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.408708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.408708 (E_RNA) where: Base-Base interactions energy: -899.810 where: short stacking energy: -372.662 Base-Backbone interact. energy: -2.977 local terms energy: -471.621679 where: bonds (distance) C4'-P energy: -100.264 bonds (distance) P-C4' energy: -97.167 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -62.975 tors. eta vs tors. theta energy: -86.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1123.757355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.757355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.757355 (E_RNA) where: Base-Base interactions energy: -678.514 where: short stacking energy: -326.212 Base-Backbone interact. energy: 0.994 local terms energy: -446.237683 where: bonds (distance) C4'-P energy: -100.309 bonds (distance) P-C4' energy: -98.112 flat angles C4'-P-C4' energy: -107.015 flat angles P-C4'-P energy: -85.501 tors. eta vs tors. theta energy: -55.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -797.777786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.777786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.777786 (E_RNA) where: Base-Base interactions energy: -397.132 where: short stacking energy: -229.569 Base-Backbone interact. energy: 0.699 local terms energy: -401.344684 where: bonds (distance) C4'-P energy: -102.121 bonds (distance) P-C4' energy: -109.256 flat angles C4'-P-C4' energy: -101.534 flat angles P-C4'-P energy: -71.036 tors. eta vs tors. theta energy: -17.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -548.457960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.457960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.457960 (E_RNA) where: Base-Base interactions energy: -242.830 where: short stacking energy: -159.670 Base-Backbone interact. energy: 4.477 local terms energy: -310.105448 where: bonds (distance) C4'-P energy: -89.736 bonds (distance) P-C4' energy: -123.943 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -38.510 tors. eta vs tors. theta energy: 14.115 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: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -455.781625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.781625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.781625 (E_RNA) where: Base-Base interactions energy: -169.106 where: short stacking energy: -126.615 Base-Backbone interact. energy: -2.367 local terms energy: -284.308116 where: bonds (distance) C4'-P energy: -90.672 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -78.517 flat angles P-C4'-P energy: -43.550 tors. eta vs tors. theta energy: 30.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2118.689784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.689784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.689784 (E_RNA) where: Base-Base interactions energy: -1453.862 where: short stacking energy: -593.314 Base-Backbone interact. energy: -3.547 local terms energy: -661.281171 where: bonds (distance) C4'-P energy: -132.873 bonds (distance) P-C4' energy: -120.886 flat angles C4'-P-C4' energy: -139.574 flat angles P-C4'-P energy: -102.118 tors. eta vs tors. theta energy: -165.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1968.826264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.826264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.826264 (E_RNA) where: Base-Base interactions energy: -1325.202 where: short stacking energy: -566.305 Base-Backbone interact. energy: -3.444 local terms energy: -640.180035 where: bonds (distance) C4'-P energy: -118.165 bonds (distance) P-C4' energy: -117.966 flat angles C4'-P-C4' energy: -139.718 flat angles P-C4'-P energy: -95.164 tors. eta vs tors. theta energy: -169.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1781.091552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.091552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.091552 (E_RNA) where: Base-Base interactions energy: -1173.451 where: short stacking energy: -539.897 Base-Backbone interact. energy: -2.209 local terms energy: -605.431698 where: bonds (distance) C4'-P energy: -106.444 bonds (distance) P-C4' energy: -116.174 flat angles C4'-P-C4' energy: -127.649 flat angles P-C4'-P energy: -87.920 tors. eta vs tors. theta energy: -167.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1713.765912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.765912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.765912 (E_RNA) where: Base-Base interactions energy: -1160.054 where: short stacking energy: -487.529 Base-Backbone interact. energy: -0.421 local terms energy: -553.290412 where: bonds (distance) C4'-P energy: -112.376 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -119.980 flat angles P-C4'-P energy: -72.328 tors. eta vs tors. theta energy: -135.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1652.620886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.620886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.620886 (E_RNA) where: Base-Base interactions energy: -1125.702 where: short stacking energy: -466.183 Base-Backbone interact. energy: -2.256 local terms energy: -524.663110 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -106.708 flat angles C4'-P-C4' energy: -121.902 flat angles P-C4'-P energy: -81.947 tors. eta vs tors. theta energy: -113.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1425.728702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.728702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.728702 (E_RNA) where: Base-Base interactions energy: -930.344 where: short stacking energy: -404.097 Base-Backbone interact. energy: -2.428 local terms energy: -492.957018 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -113.910 flat angles C4'-P-C4' energy: -111.426 flat angles P-C4'-P energy: -69.890 tors. eta vs tors. theta energy: -95.879 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: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1147.595301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.595301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.595301 (E_RNA) where: Base-Base interactions energy: -694.175 where: short stacking energy: -340.625 Base-Backbone interact. energy: -1.672 local terms energy: -451.747972 where: bonds (distance) C4'-P energy: -116.952 bonds (distance) P-C4' energy: -110.033 flat angles C4'-P-C4' energy: -99.917 flat angles P-C4'-P energy: -64.432 tors. eta vs tors. theta energy: -60.415 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: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -831.990193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.990193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.990193 (E_RNA) where: Base-Base interactions energy: -445.639 where: short stacking energy: -245.691 Base-Backbone interact. energy: 5.286 local terms energy: -391.636766 where: bonds (distance) C4'-P energy: -93.149 bonds (distance) P-C4' energy: -107.504 flat angles C4'-P-C4' energy: -101.982 flat angles P-C4'-P energy: -58.636 tors. eta vs tors. theta energy: -30.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -559.372559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.372559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.372559 (E_RNA) where: Base-Base interactions energy: -219.300 where: short stacking energy: -129.150 Base-Backbone interact. energy: 8.183 local terms energy: -348.255806 where: bonds (distance) C4'-P energy: -98.664 bonds (distance) P-C4' energy: -119.550 flat angles C4'-P-C4' energy: -100.076 flat angles P-C4'-P energy: -57.701 tors. eta vs tors. theta energy: 27.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -468.341964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.341964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.341964 (E_RNA) where: Base-Base interactions energy: -149.802 where: short stacking energy: -105.053 Base-Backbone interact. energy: -0.415 local terms energy: -318.124334 where: bonds (distance) C4'-P energy: -75.248 bonds (distance) P-C4' energy: -121.974 flat angles C4'-P-C4' energy: -98.459 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: 28.441 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: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2153.779071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.779071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.779071 (E_RNA) where: Base-Base interactions energy: -1485.969 where: short stacking energy: -610.763 Base-Backbone interact. energy: -6.943 local terms energy: -660.867301 where: bonds (distance) C4'-P energy: -110.718 bonds (distance) P-C4' energy: -125.966 flat angles C4'-P-C4' energy: -143.130 flat angles P-C4'-P energy: -106.602 tors. eta vs tors. theta energy: -174.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1940.706411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.706411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.706411 (E_RNA) where: Base-Base interactions energy: -1325.152 where: short stacking energy: -565.410 Base-Backbone interact. energy: -1.520 local terms energy: -614.033901 where: bonds (distance) C4'-P energy: -114.805 bonds (distance) P-C4' energy: -118.081 flat angles C4'-P-C4' energy: -135.594 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -165.596 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: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1793.147585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.147585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.147585 (E_RNA) where: Base-Base interactions energy: -1185.584 where: short stacking energy: -526.108 Base-Backbone interact. energy: -1.196 local terms energy: -606.368088 where: bonds (distance) C4'-P energy: -120.716 bonds (distance) P-C4' energy: -119.583 flat angles C4'-P-C4' energy: -132.318 flat angles P-C4'-P energy: -82.023 tors. eta vs tors. theta energy: -151.728 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: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1760.547024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.547024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.547024 (E_RNA) where: Base-Base interactions energy: -1200.931 where: short stacking energy: -516.834 Base-Backbone interact. energy: -0.528 local terms energy: -559.088424 where: bonds (distance) C4'-P energy: -111.899 bonds (distance) P-C4' energy: -125.968 flat angles C4'-P-C4' energy: -122.979 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -125.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1557.796613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.796613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.796613 (E_RNA) where: Base-Base interactions energy: -1039.141 where: short stacking energy: -427.363 Base-Backbone interact. energy: -3.715 local terms energy: -514.940782 where: bonds (distance) C4'-P energy: -109.406 bonds (distance) P-C4' energy: -102.879 flat angles C4'-P-C4' energy: -126.508 flat angles P-C4'-P energy: -73.704 tors. eta vs tors. theta energy: -102.444 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: 53 Temperature: 1.150000 Total energy: -1438.509846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.509846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.509846 (E_RNA) where: Base-Base interactions energy: -941.515 where: short stacking energy: -386.082 Base-Backbone interact. energy: -1.443 local terms energy: -495.551540 where: bonds (distance) C4'-P energy: -117.506 bonds (distance) P-C4' energy: -115.746 flat angles C4'-P-C4' energy: -112.295 flat angles P-C4'-P energy: -57.159 tors. eta vs tors. theta energy: -92.845 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: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1184.456834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.456834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.456834 (E_RNA) where: Base-Base interactions energy: -708.730 where: short stacking energy: -333.661 Base-Backbone interact. energy: 0.555 local terms energy: -476.281777 where: bonds (distance) C4'-P energy: -111.556 bonds (distance) P-C4' energy: -108.954 flat angles C4'-P-C4' energy: -105.104 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -68.480 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: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -877.112484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.112484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.112484 (E_RNA) where: Base-Base interactions energy: -469.552 where: short stacking energy: -236.155 Base-Backbone interact. energy: -3.062 local terms energy: -404.497594 where: bonds (distance) C4'-P energy: -100.991 bonds (distance) P-C4' energy: -116.322 flat angles C4'-P-C4' energy: -97.865 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -40.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -504.096803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.096803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.096803 (E_RNA) where: Base-Base interactions energy: -177.286 where: short stacking energy: -126.724 Base-Backbone interact. energy: -2.246 local terms energy: -324.565143 where: bonds (distance) C4'-P energy: -91.851 bonds (distance) P-C4' energy: -114.272 flat angles C4'-P-C4' energy: -81.841 flat angles P-C4'-P energy: -54.009 tors. eta vs tors. theta energy: 17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -475.953355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.953355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.953355 (E_RNA) where: Base-Base interactions energy: -164.459 where: short stacking energy: -130.042 Base-Backbone interact. energy: 2.959 local terms energy: -314.453134 where: bonds (distance) C4'-P energy: -100.779 bonds (distance) P-C4' energy: -103.573 flat angles C4'-P-C4' energy: -95.830 flat angles P-C4'-P energy: -39.748 tors. eta vs tors. theta energy: 25.477 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: 10 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2092.583025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.583025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.583025 (E_RNA) where: Base-Base interactions energy: -1455.662 where: short stacking energy: -597.790 Base-Backbone interact. energy: -2.519 local terms energy: -634.402431 where: bonds (distance) C4'-P energy: -114.958 bonds (distance) P-C4' energy: -126.125 flat angles C4'-P-C4' energy: -122.128 flat angles P-C4'-P energy: -105.338 tors. eta vs tors. theta energy: -165.854 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: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1944.985129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.985129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.985129 (E_RNA) where: Base-Base interactions energy: -1327.612 where: short stacking energy: -584.759 Base-Backbone interact. energy: -4.076 local terms energy: -613.297030 where: bonds (distance) C4'-P energy: -113.524 bonds (distance) P-C4' energy: -111.359 flat angles C4'-P-C4' energy: -136.257 flat angles P-C4'-P energy: -86.256 tors. eta vs tors. theta energy: -165.900 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: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1832.243974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.243974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.243974 (E_RNA) where: Base-Base interactions energy: -1259.728 where: short stacking energy: -556.949 Base-Backbone interact. energy: -0.243 local terms energy: -572.272027 where: bonds (distance) C4'-P energy: -98.022 bonds (distance) P-C4' energy: -117.364 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -145.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1730.254882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.254882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.254882 (E_RNA) where: Base-Base interactions energy: -1128.474 where: short stacking energy: -501.249 Base-Backbone interact. energy: 1.286 local terms energy: -603.067369 where: bonds (distance) C4'-P energy: -120.666 bonds (distance) P-C4' energy: -121.485 flat angles C4'-P-C4' energy: -140.509 flat angles P-C4'-P energy: -79.010 tors. eta vs tors. theta energy: -141.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1586.377254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.377254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.377254 (E_RNA) where: Base-Base interactions energy: -1034.982 where: short stacking energy: -436.732 Base-Backbone interact. energy: -1.812 local terms energy: -549.583205 where: bonds (distance) C4'-P energy: -110.485 bonds (distance) P-C4' energy: -109.584 flat angles C4'-P-C4' energy: -128.151 flat angles P-C4'-P energy: -78.382 tors. eta vs tors. theta energy: -122.981 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: 54 Temperature: 1.150000 Total energy: -1458.840525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.840525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.840525 (E_RNA) where: Base-Base interactions energy: -958.120 where: short stacking energy: -398.535 Base-Backbone interact. energy: -1.076 local terms energy: -499.644172 where: bonds (distance) C4'-P energy: -120.910 bonds (distance) P-C4' energy: -109.042 flat angles C4'-P-C4' energy: -97.143 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -99.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1111.920201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.920201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.920201 (E_RNA) where: Base-Base interactions energy: -680.116 where: short stacking energy: -324.789 Base-Backbone interact. energy: 1.669 local terms energy: -433.473594 where: bonds (distance) C4'-P energy: -88.975 bonds (distance) P-C4' energy: -129.037 flat angles C4'-P-C4' energy: -92.985 flat angles P-C4'-P energy: -61.849 tors. eta vs tors. theta energy: -60.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -865.749258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.749258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.749258 (E_RNA) where: Base-Base interactions energy: -470.556 where: short stacking energy: -211.717 Base-Backbone interact. energy: -4.422 local terms energy: -390.771967 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -98.307 flat angles C4'-P-C4' energy: -98.972 flat angles P-C4'-P energy: -63.788 tors. eta vs tors. theta energy: -21.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -479.231852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.231852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.231852 (E_RNA) where: Base-Base interactions energy: -182.113 where: short stacking energy: -148.838 Base-Backbone interact. energy: -0.473 local terms energy: -296.646243 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -105.297 flat angles C4'-P-C4' energy: -70.192 flat angles P-C4'-P energy: -37.549 tors. eta vs tors. theta energy: 22.314 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: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -484.418889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.418889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.418889 (E_RNA) where: Base-Base interactions energy: -185.669 where: short stacking energy: -138.164 Base-Backbone interact. energy: 3.527 local terms energy: -302.277048 where: bonds (distance) C4'-P energy: -101.402 bonds (distance) P-C4' energy: -91.624 flat angles C4'-P-C4' energy: -79.923 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: 15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2123.287369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.287369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.287369 (E_RNA) where: Base-Base interactions energy: -1482.629 where: short stacking energy: -602.398 Base-Backbone interact. energy: -4.081 local terms energy: -636.577731 where: bonds (distance) C4'-P energy: -113.372 bonds (distance) P-C4' energy: -118.179 flat angles C4'-P-C4' energy: -136.229 flat angles P-C4'-P energy: -95.848 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: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1942.997082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.997082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.997082 (E_RNA) where: Base-Base interactions energy: -1317.930 where: short stacking energy: -544.198 Base-Backbone interact. energy: -2.066 local terms energy: -623.000928 where: bonds (distance) C4'-P energy: -120.915 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -124.653 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -163.275 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: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1864.119950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.119950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.119950 (E_RNA) where: Base-Base interactions energy: -1244.601 where: short stacking energy: -520.756 Base-Backbone interact. energy: -2.874 local terms energy: -616.645586 where: bonds (distance) C4'-P energy: -118.136 bonds (distance) P-C4' energy: -118.407 flat angles C4'-P-C4' energy: -137.170 flat angles P-C4'-P energy: -95.772 tors. eta vs tors. theta energy: -147.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1703.667306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.667306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.667306 (E_RNA) where: Base-Base interactions energy: -1135.647 where: short stacking energy: -505.647 Base-Backbone interact. energy: -1.396 local terms energy: -566.624259 where: bonds (distance) C4'-P energy: -115.596 bonds (distance) P-C4' energy: -109.411 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -79.487 tors. eta vs tors. theta energy: -136.084 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: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1543.196754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.196754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.196754 (E_RNA) where: Base-Base interactions energy: -1015.097 where: short stacking energy: -453.195 Base-Backbone interact. energy: -2.255 local terms energy: -525.844839 where: bonds (distance) C4'-P energy: -98.105 bonds (distance) P-C4' energy: -118.884 flat angles C4'-P-C4' energy: -127.271 flat angles P-C4'-P energy: -65.938 tors. eta vs tors. theta energy: -115.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1468.011614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.011614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.011614 (E_RNA) where: Base-Base interactions energy: -983.949 where: short stacking energy: -399.046 Base-Backbone interact. energy: -0.903 local terms energy: -483.158996 where: bonds (distance) C4'-P energy: -100.083 bonds (distance) P-C4' energy: -119.736 flat angles C4'-P-C4' energy: -96.640 flat angles P-C4'-P energy: -61.364 tors. eta vs tors. theta energy: -105.335 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: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1091.230846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.230846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.230846 (E_RNA) where: Base-Base interactions energy: -646.896 where: short stacking energy: -306.644 Base-Backbone interact. energy: 0.527 local terms energy: -444.861524 where: bonds (distance) C4'-P energy: -97.765 bonds (distance) P-C4' energy: -112.483 flat angles C4'-P-C4' energy: -117.059 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -47.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -822.356718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.356718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.356718 (E_RNA) where: Base-Base interactions energy: -408.976 where: short stacking energy: -198.479 Base-Backbone interact. energy: -3.438 local terms energy: -409.942449 where: bonds (distance) C4'-P energy: -93.488 bonds (distance) P-C4' energy: -112.431 flat angles C4'-P-C4' energy: -101.691 flat angles P-C4'-P energy: -84.160 tors. eta vs tors. theta energy: -18.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -494.194084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.194084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.194084 (E_RNA) where: Base-Base interactions energy: -174.071 where: short stacking energy: -138.035 Base-Backbone interact. energy: 5.191 local terms energy: -325.313809 where: bonds (distance) C4'-P energy: -97.066 bonds (distance) P-C4' energy: -108.762 flat angles C4'-P-C4' energy: -86.674 flat angles P-C4'-P energy: -47.208 tors. eta vs tors. theta energy: 14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -452.843004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.843004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.843004 (E_RNA) where: Base-Base interactions energy: -169.497 where: short stacking energy: -111.430 Base-Backbone interact. energy: -0.239 local terms energy: -283.106756 where: bonds (distance) C4'-P energy: -103.583 bonds (distance) P-C4' energy: -107.099 flat angles C4'-P-C4' energy: -67.336 flat angles P-C4'-P energy: -41.009 tors. eta vs tors. theta energy: 35.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2136.988867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.988867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.988867 (E_RNA) where: Base-Base interactions energy: -1496.683 where: short stacking energy: -606.501 Base-Backbone interact. energy: 1.131 local terms energy: -641.437234 where: bonds (distance) C4'-P energy: -123.463 bonds (distance) P-C4' energy: -116.156 flat angles C4'-P-C4' energy: -140.006 flat angles P-C4'-P energy: -88.216 tors. eta vs tors. theta energy: -173.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1913.285158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.285158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.285158 (E_RNA) where: Base-Base interactions energy: -1295.150 where: short stacking energy: -567.190 Base-Backbone interact. energy: -2.817 local terms energy: -615.318595 where: bonds (distance) C4'-P energy: -110.748 bonds (distance) P-C4' energy: -117.414 flat angles C4'-P-C4' energy: -139.108 flat angles P-C4'-P energy: -84.675 tors. eta vs tors. theta energy: -163.374 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1861.421728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.421728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.421728 (E_RNA) where: Base-Base interactions energy: -1259.643 where: short stacking energy: -531.207 Base-Backbone interact. energy: -1.649 local terms energy: -600.130643 where: bonds (distance) C4'-P energy: -113.939 bonds (distance) P-C4' energy: -117.984 flat angles C4'-P-C4' energy: -125.118 flat angles P-C4'-P energy: -90.701 tors. eta vs tors. theta energy: -152.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1742.138463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.138463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.138463 (E_RNA) where: Base-Base interactions energy: -1155.285 where: short stacking energy: -493.408 Base-Backbone interact. energy: 2.098 local terms energy: -588.950508 where: bonds (distance) C4'-P energy: -124.169 bonds (distance) P-C4' energy: -105.098 flat angles C4'-P-C4' energy: -128.361 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -142.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1519.679018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.679018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.679018 (E_RNA) where: Base-Base interactions energy: -988.132 where: short stacking energy: -414.832 Base-Backbone interact. energy: -3.944 local terms energy: -527.602279 where: bonds (distance) C4'-P energy: -116.076 bonds (distance) P-C4' energy: -113.800 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -76.717 tors. eta vs tors. theta energy: -105.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1457.332505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.332505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.332505 (E_RNA) where: Base-Base interactions energy: -951.328 where: short stacking energy: -403.026 Base-Backbone interact. energy: 2.913 local terms energy: -508.917474 where: bonds (distance) C4'-P energy: -114.268 bonds (distance) P-C4' energy: -113.185 flat angles C4'-P-C4' energy: -116.828 flat angles P-C4'-P energy: -75.223 tors. eta vs tors. theta energy: -89.413 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: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1202.763399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.763399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.763399 (E_RNA) where: Base-Base interactions energy: -751.666 where: short stacking energy: -359.492 Base-Backbone interact. energy: 2.077 local terms energy: -453.174709 where: bonds (distance) C4'-P energy: -91.159 bonds (distance) P-C4' energy: -111.411 flat angles C4'-P-C4' energy: -102.528 flat angles P-C4'-P energy: -66.051 tors. eta vs tors. theta energy: -82.026 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: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -819.293090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.293090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.293090 (E_RNA) where: Base-Base interactions energy: -412.526 where: short stacking energy: -233.563 Base-Backbone interact. energy: 0.967 local terms energy: -407.734844 where: bonds (distance) C4'-P energy: -104.568 bonds (distance) P-C4' energy: -122.270 flat angles C4'-P-C4' energy: -101.503 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -29.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -533.023570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.023570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.023570 (E_RNA) where: Base-Base interactions energy: -193.786 where: short stacking energy: -160.847 Base-Backbone interact. energy: 0.315 local terms energy: -339.552772 where: bonds (distance) C4'-P energy: -109.026 bonds (distance) P-C4' energy: -101.416 flat angles C4'-P-C4' energy: -84.156 flat angles P-C4'-P energy: -52.621 tors. eta vs tors. theta energy: 7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -493.700591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.700591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.700591 (E_RNA) where: Base-Base interactions energy: -192.915 where: short stacking energy: -134.801 Base-Backbone interact. energy: -3.921 local terms energy: -296.864681 where: bonds (distance) C4'-P energy: -96.311 bonds (distance) P-C4' energy: -97.348 flat angles C4'-P-C4' energy: -73.672 flat angles P-C4'-P energy: -41.595 tors. eta vs tors. theta energy: 12.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2152.327470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.327470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.327470 (E_RNA) where: Base-Base interactions energy: -1490.831 where: short stacking energy: -603.915 Base-Backbone interact. energy: -4.087 local terms energy: -657.409188 where: bonds (distance) C4'-P energy: -128.480 bonds (distance) P-C4' energy: -116.733 flat angles C4'-P-C4' energy: -147.852 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -172.413 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: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1936.951504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.951504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.951504 (E_RNA) where: Base-Base interactions energy: -1307.800 where: short stacking energy: -543.558 Base-Backbone interact. energy: -1.950 local terms energy: -627.201980 where: bonds (distance) C4'-P energy: -107.995 bonds (distance) P-C4' energy: -129.133 flat angles C4'-P-C4' energy: -137.055 flat angles P-C4'-P energy: -83.087 tors. eta vs tors. theta energy: -169.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1829.292671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.292671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.292671 (E_RNA) where: Base-Base interactions energy: -1260.070 where: short stacking energy: -527.006 Base-Backbone interact. energy: -2.353 local terms energy: -566.870228 where: bonds (distance) C4'-P energy: -104.332 bonds (distance) P-C4' energy: -108.594 flat angles C4'-P-C4' energy: -130.075 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: -142.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1764.838058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.838058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.838058 (E_RNA) where: Base-Base interactions energy: -1180.654 where: short stacking energy: -518.546 Base-Backbone interact. energy: -1.951 local terms energy: -582.232598 where: bonds (distance) C4'-P energy: -106.428 bonds (distance) P-C4' energy: -126.068 flat angles C4'-P-C4' energy: -133.523 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -140.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1479.381397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.381397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.381397 (E_RNA) where: Base-Base interactions energy: -991.910 where: short stacking energy: -406.223 Base-Backbone interact. energy: -0.636 local terms energy: -486.835547 where: bonds (distance) C4'-P energy: -109.475 bonds (distance) P-C4' energy: -101.482 flat angles C4'-P-C4' energy: -101.503 flat angles P-C4'-P energy: -85.064 tors. eta vs tors. theta energy: -89.312 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: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1451.774479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.774479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.774479 (E_RNA) where: Base-Base interactions energy: -952.303 where: short stacking energy: -414.178 Base-Backbone interact. energy: 5.240 local terms energy: -504.711176 where: bonds (distance) C4'-P energy: -97.386 bonds (distance) P-C4' energy: -113.032 flat angles C4'-P-C4' energy: -115.403 flat angles P-C4'-P energy: -83.232 tors. eta vs tors. theta energy: -95.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1250.968815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.968815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.968815 (E_RNA) where: Base-Base interactions energy: -781.494 where: short stacking energy: -364.493 Base-Backbone interact. energy: 0.391 local terms energy: -469.865735 where: bonds (distance) C4'-P energy: -114.265 bonds (distance) P-C4' energy: -101.514 flat angles C4'-P-C4' energy: -94.728 flat angles P-C4'-P energy: -67.485 tors. eta vs tors. theta energy: -91.873 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: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -786.435205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.435205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.435205 (E_RNA) where: Base-Base interactions energy: -436.650 where: short stacking energy: -227.134 Base-Backbone interact. energy: -2.015 local terms energy: -347.770153 where: bonds (distance) C4'-P energy: -86.980 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -93.280 flat angles P-C4'-P energy: -57.931 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -526.517072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.517072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.517072 (E_RNA) where: Base-Base interactions energy: -205.987 where: short stacking energy: -148.176 Base-Backbone interact. energy: -2.424 local terms energy: -318.106190 where: bonds (distance) C4'-P energy: -102.666 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -88.296 flat angles P-C4'-P energy: -56.451 tors. eta vs tors. theta energy: 16.168 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: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -464.324314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.324314 (E_RNA) where: Base-Base interactions energy: -170.673 where: short stacking energy: -120.971 Base-Backbone interact. energy: -4.370 local terms energy: -289.281149 where: bonds (distance) C4'-P energy: -93.733 bonds (distance) P-C4' energy: -103.534 flat angles C4'-P-C4' energy: -81.989 flat angles P-C4'-P energy: -36.524 tors. eta vs tors. theta energy: 26.499 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: 10 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2143.252703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.252703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.252703 (E_RNA) where: Base-Base interactions energy: -1484.198 where: short stacking energy: -610.806 Base-Backbone interact. energy: -4.457 local terms energy: -654.597508 where: bonds (distance) C4'-P energy: -117.776 bonds (distance) P-C4' energy: -121.650 flat angles C4'-P-C4' energy: -139.182 flat angles P-C4'-P energy: -99.555 tors. eta vs tors. theta energy: -176.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1927.761628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.761628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.761628 (E_RNA) where: Base-Base interactions energy: -1304.238 where: short stacking energy: -565.227 Base-Backbone interact. energy: -1.928 local terms energy: -621.595387 where: bonds (distance) C4'-P energy: -120.228 bonds (distance) P-C4' energy: -113.522 flat angles C4'-P-C4' energy: -125.410 flat angles P-C4'-P energy: -91.930 tors. eta vs tors. theta energy: -170.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1827.371227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.371227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.371227 (E_RNA) where: Base-Base interactions energy: -1223.600 where: short stacking energy: -505.918 Base-Backbone interact. energy: -1.020 local terms energy: -602.751207 where: bonds (distance) C4'-P energy: -123.882 bonds (distance) P-C4' energy: -117.247 flat angles C4'-P-C4' energy: -132.300 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -137.079 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: 3 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1795.482234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.482234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.482234 (E_RNA) where: Base-Base interactions energy: -1185.020 where: short stacking energy: -530.387 Base-Backbone interact. energy: 1.563 local terms energy: -612.025671 where: bonds (distance) C4'-P energy: -113.115 bonds (distance) P-C4' energy: -119.668 flat angles C4'-P-C4' energy: -131.264 flat angles P-C4'-P energy: -84.343 tors. eta vs tors. theta energy: -163.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1555.167606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.167606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.167606 (E_RNA) where: Base-Base interactions energy: -1024.940 where: short stacking energy: -408.310 Base-Backbone interact. energy: -2.098 local terms energy: -528.129709 where: bonds (distance) C4'-P energy: -119.294 bonds (distance) P-C4' energy: -113.050 flat angles C4'-P-C4' energy: -114.734 flat angles P-C4'-P energy: -74.966 tors. eta vs tors. theta energy: -106.086 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: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1466.124338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.124338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.124338 (E_RNA) where: Base-Base interactions energy: -967.609 where: short stacking energy: -423.298 Base-Backbone interact. energy: -2.031 local terms energy: -496.484171 where: bonds (distance) C4'-P energy: -108.320 bonds (distance) P-C4' energy: -101.381 flat angles C4'-P-C4' energy: -120.237 flat angles P-C4'-P energy: -64.790 tors. eta vs tors. theta energy: -101.756 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: 58 Temperature: 1.200000 Total energy: -1220.794550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.794550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.794550 (E_RNA) where: Base-Base interactions energy: -729.941 where: short stacking energy: -364.932 Base-Backbone interact. energy: -2.006 local terms energy: -488.847523 where: bonds (distance) C4'-P energy: -122.612 bonds (distance) P-C4' energy: -107.322 flat angles C4'-P-C4' energy: -105.673 flat angles P-C4'-P energy: -67.813 tors. eta vs tors. theta energy: -85.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -811.253777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.253777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.253777 (E_RNA) where: Base-Base interactions energy: -463.202 where: short stacking energy: -229.472 Base-Backbone interact. energy: -3.369 local terms energy: -344.683189 where: bonds (distance) C4'-P energy: -91.619 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -83.012 flat angles P-C4'-P energy: -55.396 tors. eta vs tors. theta energy: -2.243 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: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -545.948917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.948917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.948917 (E_RNA) where: Base-Base interactions energy: -228.593 where: short stacking energy: -156.865 Base-Backbone interact. energy: -0.149 local terms energy: -317.206239 where: bonds (distance) C4'-P energy: -83.966 bonds (distance) P-C4' energy: -104.200 flat angles C4'-P-C4' energy: -82.533 flat angles P-C4'-P energy: -59.888 tors. eta vs tors. theta energy: 13.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -519.769914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.769914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.769914 (E_RNA) where: Base-Base interactions energy: -203.714 where: short stacking energy: -137.281 Base-Backbone interact. energy: 2.584 local terms energy: -318.640175 where: bonds (distance) C4'-P energy: -99.098 bonds (distance) P-C4' energy: -104.692 flat angles C4'-P-C4' energy: -92.792 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: 30.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2143.542321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.542321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.542321 (E_RNA) where: Base-Base interactions energy: -1482.014 where: short stacking energy: -603.033 Base-Backbone interact. energy: -3.946 local terms energy: -657.582650 where: bonds (distance) C4'-P energy: -129.986 bonds (distance) P-C4' energy: -119.698 flat angles C4'-P-C4' energy: -138.636 flat angles P-C4'-P energy: -91.183 tors. eta vs tors. theta energy: -178.079 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: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1909.148317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.148317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.148317 (E_RNA) where: Base-Base interactions energy: -1279.814 where: short stacking energy: -559.188 Base-Backbone interact. energy: -3.027 local terms energy: -626.308178 where: bonds (distance) C4'-P energy: -126.032 bonds (distance) P-C4' energy: -117.018 flat angles C4'-P-C4' energy: -130.139 flat angles P-C4'-P energy: -90.283 tors. eta vs tors. theta energy: -162.836 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: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1778.435679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.435679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.435679 (E_RNA) where: Base-Base interactions energy: -1190.575 where: short stacking energy: -507.109 Base-Backbone interact. energy: 0.080 local terms energy: -587.940296 where: bonds (distance) C4'-P energy: -125.439 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -112.971 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -139.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1738.336368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.336368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.336368 (E_RNA) where: Base-Base interactions energy: -1143.769 where: short stacking energy: -507.861 Base-Backbone interact. energy: -2.350 local terms energy: -592.217061 where: bonds (distance) C4'-P energy: -113.592 bonds (distance) P-C4' energy: -110.552 flat angles C4'-P-C4' energy: -130.348 flat angles P-C4'-P energy: -92.930 tors. eta vs tors. theta energy: -144.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1621.214908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.214908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.214908 (E_RNA) where: Base-Base interactions energy: -1105.031 where: short stacking energy: -475.500 Base-Backbone interact. energy: -0.942 local terms energy: -515.242312 where: bonds (distance) C4'-P energy: -94.472 bonds (distance) P-C4' energy: -111.731 flat angles C4'-P-C4' energy: -123.326 flat angles P-C4'-P energy: -69.426 tors. eta vs tors. theta energy: -116.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1454.083888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.083888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.083888 (E_RNA) where: Base-Base interactions energy: -938.643 where: short stacking energy: -387.847 Base-Backbone interact. energy: 2.458 local terms energy: -517.898694 where: bonds (distance) C4'-P energy: -100.868 bonds (distance) P-C4' energy: -123.656 flat angles C4'-P-C4' energy: -130.426 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -89.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1148.722173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.722173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.722173 (E_RNA) where: Base-Base interactions energy: -680.315 where: short stacking energy: -323.673 Base-Backbone interact. energy: 0.172 local terms energy: -468.579071 where: bonds (distance) C4'-P energy: -102.990 bonds (distance) P-C4' energy: -115.071 flat angles C4'-P-C4' energy: -117.034 flat angles P-C4'-P energy: -58.414 tors. eta vs tors. theta energy: -75.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -845.561911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.561911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.561911 (E_RNA) where: Base-Base interactions energy: -454.747 where: short stacking energy: -221.702 Base-Backbone interact. energy: -0.260 local terms energy: -390.555346 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -85.126 flat angles P-C4'-P energy: -63.657 tors. eta vs tors. theta energy: -27.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -558.887369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.887369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.887369 (E_RNA) where: Base-Base interactions energy: -245.667 where: short stacking energy: -176.122 Base-Backbone interact. energy: -1.841 local terms energy: -311.380209 where: bonds (distance) C4'-P energy: -105.061 bonds (distance) P-C4' energy: -95.623 flat angles C4'-P-C4' energy: -83.860 flat angles P-C4'-P energy: -38.336 tors. eta vs tors. theta energy: 11.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -471.013867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.013867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.013867 (E_RNA) where: Base-Base interactions energy: -169.007 where: short stacking energy: -141.827 Base-Backbone interact. energy: -2.008 local terms energy: -299.999157 where: bonds (distance) C4'-P energy: -99.262 bonds (distance) P-C4' energy: -97.118 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -51.119 tors. eta vs tors. theta energy: 21.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2163.727268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.727268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.727268 (E_RNA) where: Base-Base interactions energy: -1483.712 where: short stacking energy: -607.022 Base-Backbone interact. energy: -3.030 local terms energy: -676.984854 where: bonds (distance) C4'-P energy: -120.707 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -132.709 flat angles P-C4'-P energy: -104.739 tors. eta vs tors. theta energy: -187.088 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: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1957.931652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.931652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.931652 (E_RNA) where: Base-Base interactions energy: -1318.115 where: short stacking energy: -573.375 Base-Backbone interact. energy: -2.078 local terms energy: -637.739303 where: bonds (distance) C4'-P energy: -122.245 bonds (distance) P-C4' energy: -115.783 flat angles C4'-P-C4' energy: -131.867 flat angles P-C4'-P energy: -89.663 tors. eta vs tors. theta energy: -178.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1832.009840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.009840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.009840 (E_RNA) where: Base-Base interactions energy: -1226.790 where: short stacking energy: -510.907 Base-Backbone interact. energy: -1.500 local terms energy: -603.719089 where: bonds (distance) C4'-P energy: -114.346 bonds (distance) P-C4' energy: -127.513 flat angles C4'-P-C4' energy: -132.928 flat angles P-C4'-P energy: -86.317 tors. eta vs tors. theta energy: -142.615 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: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1771.861434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.861434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.861434 (E_RNA) where: Base-Base interactions energy: -1176.684 where: short stacking energy: -528.556 Base-Backbone interact. energy: -0.972 local terms energy: -594.205090 where: bonds (distance) C4'-P energy: -114.406 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -130.262 flat angles P-C4'-P energy: -84.395 tors. eta vs tors. theta energy: -151.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1562.169889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.169889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.169889 (E_RNA) where: Base-Base interactions energy: -1033.315 where: short stacking energy: -438.750 Base-Backbone interact. energy: -0.699 local terms energy: -528.156159 where: bonds (distance) C4'-P energy: -99.556 bonds (distance) P-C4' energy: -110.518 flat angles C4'-P-C4' energy: -126.954 flat angles P-C4'-P energy: -82.160 tors. eta vs tors. theta energy: -108.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1509.264114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.264114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.264114 (E_RNA) where: Base-Base interactions energy: -1010.738 where: short stacking energy: -407.351 Base-Backbone interact. energy: -0.356 local terms energy: -498.169784 where: bonds (distance) C4'-P energy: -108.934 bonds (distance) P-C4' energy: -101.396 flat angles C4'-P-C4' energy: -111.316 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -98.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1148.398216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.398216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.398216 (E_RNA) where: Base-Base interactions energy: -703.946 where: short stacking energy: -346.235 Base-Backbone interact. energy: -1.544 local terms energy: -442.908798 where: bonds (distance) C4'-P energy: -94.379 bonds (distance) P-C4' energy: -93.920 flat angles C4'-P-C4' energy: -100.016 flat angles P-C4'-P energy: -71.070 tors. eta vs tors. theta energy: -83.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -876.669666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.669666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.669666 (E_RNA) where: Base-Base interactions energy: -476.085 where: short stacking energy: -243.198 Base-Backbone interact. energy: 0.510 local terms energy: -401.094109 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -115.962 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -54.688 tors. eta vs tors. theta energy: -24.519 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -549.095712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.095712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.095712 (E_RNA) where: Base-Base interactions energy: -181.511 where: short stacking energy: -130.370 Base-Backbone interact. energy: 1.162 local terms energy: -368.746258 where: bonds (distance) C4'-P energy: -111.965 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -101.529 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: 5.701 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: 10, replica: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -440.312429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.312429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.312429 (E_RNA) where: Base-Base interactions energy: -142.997 where: short stacking energy: -106.483 Base-Backbone interact. energy: 0.899 local terms energy: -298.214491 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -109.997 flat angles C4'-P-C4' energy: -68.894 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: 16.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2157.831717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.831717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.831717 (E_RNA) where: Base-Base interactions energy: -1498.745 where: short stacking energy: -616.907 Base-Backbone interact. energy: -0.680 local terms energy: -658.406050 where: bonds (distance) C4'-P energy: -116.433 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -140.694 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -180.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1954.617096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.617096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.617096 (E_RNA) where: Base-Base interactions energy: -1315.802 where: short stacking energy: -567.007 Base-Backbone interact. energy: -2.190 local terms energy: -636.624930 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -124.931 flat angles C4'-P-C4' energy: -130.814 flat angles P-C4'-P energy: -85.098 tors. eta vs tors. theta energy: -169.300 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: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1825.569773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.569773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.569773 (E_RNA) where: Base-Base interactions energy: -1211.309 where: short stacking energy: -545.902 Base-Backbone interact. energy: 0.171 local terms energy: -614.431521 where: bonds (distance) C4'-P energy: -131.469 bonds (distance) P-C4' energy: -114.598 flat angles C4'-P-C4' energy: -133.045 flat angles P-C4'-P energy: -87.898 tors. eta vs tors. theta energy: -147.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1753.690774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.690774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.690774 (E_RNA) where: Base-Base interactions energy: -1166.435 where: short stacking energy: -515.605 Base-Backbone interact. energy: 0.766 local terms energy: -588.021410 where: bonds (distance) C4'-P energy: -104.035 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -122.716 flat angles P-C4'-P energy: -89.672 tors. eta vs tors. theta energy: -144.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1597.536553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.536553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.536553 (E_RNA) where: Base-Base interactions energy: -1067.428 where: short stacking energy: -433.801 Base-Backbone interact. energy: -1.523 local terms energy: -528.585423 where: bonds (distance) C4'-P energy: -111.498 bonds (distance) P-C4' energy: -101.141 flat angles C4'-P-C4' energy: -121.039 flat angles P-C4'-P energy: -83.908 tors. eta vs tors. theta energy: -111.000 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1496.014374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.014374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.014374 (E_RNA) where: Base-Base interactions energy: -970.723 where: short stacking energy: -413.353 Base-Backbone interact. energy: -1.546 local terms energy: -523.745319 where: bonds (distance) C4'-P energy: -111.204 bonds (distance) P-C4' energy: -119.836 flat angles C4'-P-C4' energy: -116.815 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -106.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1154.482875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.482875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.482875 (E_RNA) where: Base-Base interactions energy: -721.493 where: short stacking energy: -332.996 Base-Backbone interact. energy: -0.110 local terms energy: -432.880401 where: bonds (distance) C4'-P energy: -99.615 bonds (distance) P-C4' energy: -105.028 flat angles C4'-P-C4' energy: -95.855 flat angles P-C4'-P energy: -54.659 tors. eta vs tors. theta energy: -77.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -813.853256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.853256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.853256 (E_RNA) where: Base-Base interactions energy: -432.272 where: short stacking energy: -219.210 Base-Backbone interact. energy: -1.970 local terms energy: -379.610745 where: bonds (distance) C4'-P energy: -85.733 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -507.169606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.169606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.169606 (E_RNA) where: Base-Base interactions energy: -215.770 where: short stacking energy: -146.962 Base-Backbone interact. energy: -0.427 local terms energy: -290.972509 where: bonds (distance) C4'-P energy: -87.152 bonds (distance) P-C4' energy: -96.417 flat angles C4'-P-C4' energy: -73.830 flat angles P-C4'-P energy: -54.816 tors. eta vs tors. theta energy: 21.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -485.257205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.257205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.257205 (E_RNA) where: Base-Base interactions energy: -157.521 where: short stacking energy: -133.127 Base-Backbone interact. energy: 5.334 local terms energy: -333.070591 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -108.438 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -41.125 tors. eta vs tors. theta energy: 22.342 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: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2173.867757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.867757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.867757 (E_RNA) where: Base-Base interactions energy: -1518.848 where: short stacking energy: -630.145 Base-Backbone interact. energy: -4.690 local terms energy: -650.330352 where: bonds (distance) C4'-P energy: -124.910 bonds (distance) P-C4' energy: -128.315 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -84.963 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: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1964.381548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.381548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.381548 (E_RNA) where: Base-Base interactions energy: -1336.125 where: short stacking energy: -561.586 Base-Backbone interact. energy: -1.443 local terms energy: -626.814006 where: bonds (distance) C4'-P energy: -116.283 bonds (distance) P-C4' energy: -116.868 flat angles C4'-P-C4' energy: -131.603 flat angles P-C4'-P energy: -95.033 tors. eta vs tors. theta energy: -167.027 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: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1867.247906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.247906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.247906 (E_RNA) where: Base-Base interactions energy: -1262.051 where: short stacking energy: -550.644 Base-Backbone interact. energy: 1.726 local terms energy: -606.923529 where: bonds (distance) C4'-P energy: -115.770 bonds (distance) P-C4' energy: -112.237 flat angles C4'-P-C4' energy: -133.080 flat angles P-C4'-P energy: -87.894 tors. eta vs tors. theta energy: -157.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1712.577393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.577393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.577393 (E_RNA) where: Base-Base interactions energy: -1149.689 where: short stacking energy: -501.821 Base-Backbone interact. energy: 0.233 local terms energy: -563.121802 where: bonds (distance) C4'-P energy: -114.053 bonds (distance) P-C4' energy: -103.937 flat angles C4'-P-C4' energy: -138.412 flat angles P-C4'-P energy: -73.764 tors. eta vs tors. theta energy: -132.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1578.175577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.175577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.175577 (E_RNA) where: Base-Base interactions energy: -1054.627 where: short stacking energy: -447.521 Base-Backbone interact. energy: -1.475 local terms energy: -522.073878 where: bonds (distance) C4'-P energy: -109.123 bonds (distance) P-C4' energy: -104.370 flat angles C4'-P-C4' energy: -112.600 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -126.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1472.221062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.221062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.221062 (E_RNA) where: Base-Base interactions energy: -972.609 where: short stacking energy: -406.257 Base-Backbone interact. energy: -2.427 local terms energy: -497.184366 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -127.789 flat angles P-C4'-P energy: -70.732 tors. eta vs tors. theta energy: -96.620 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: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1156.994410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.994410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.994410 (E_RNA) where: Base-Base interactions energy: -689.908 where: short stacking energy: -317.065 Base-Backbone interact. energy: 0.881 local terms energy: -467.966804 where: bonds (distance) C4'-P energy: -113.284 bonds (distance) P-C4' energy: -102.675 flat angles C4'-P-C4' energy: -115.822 flat angles P-C4'-P energy: -74.669 tors. eta vs tors. theta energy: -61.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -871.641197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.641197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.641197 (E_RNA) where: Base-Base interactions energy: -445.912 where: short stacking energy: -242.582 Base-Backbone interact. energy: 0.049 local terms energy: -425.778421 where: bonds (distance) C4'-P energy: -96.382 bonds (distance) P-C4' energy: -113.612 flat angles C4'-P-C4' energy: -101.653 flat angles P-C4'-P energy: -69.613 tors. eta vs tors. theta energy: -44.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -520.253950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.253950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.253950 (E_RNA) where: Base-Base interactions energy: -190.244 where: short stacking energy: -111.569 Base-Backbone interact. energy: -2.736 local terms energy: -327.273155 where: bonds (distance) C4'-P energy: -106.138 bonds (distance) P-C4' energy: -109.429 flat angles C4'-P-C4' energy: -80.401 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: 17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -457.409376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.409376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.409376 (E_RNA) where: Base-Base interactions energy: -151.719 where: short stacking energy: -121.113 Base-Backbone interact. energy: -4.805 local terms energy: -300.885206 where: bonds (distance) C4'-P energy: -104.813 bonds (distance) P-C4' energy: -97.540 flat angles C4'-P-C4' energy: -70.352 flat angles P-C4'-P energy: -60.709 tors. eta vs tors. theta energy: 32.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2187.208250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.208250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.208250 (E_RNA) where: Base-Base interactions energy: -1528.569 where: short stacking energy: -616.237 Base-Backbone interact. energy: -3.721 local terms energy: -654.918221 where: bonds (distance) C4'-P energy: -120.624 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -142.634 flat angles P-C4'-P energy: -87.043 tors. eta vs tors. theta energy: -179.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1990.785175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.785175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.785175 (E_RNA) where: Base-Base interactions energy: -1362.628 where: short stacking energy: -568.031 Base-Backbone interact. energy: 1.567 local terms energy: -629.723980 where: bonds (distance) C4'-P energy: -119.142 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -129.666 flat angles P-C4'-P energy: -93.411 tors. eta vs tors. theta energy: -169.405 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: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1832.560150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.560150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.560150 (E_RNA) where: Base-Base interactions energy: -1234.351 where: short stacking energy: -537.848 Base-Backbone interact. energy: -1.023 local terms energy: -597.186447 where: bonds (distance) C4'-P energy: -104.051 bonds (distance) P-C4' energy: -121.309 flat angles C4'-P-C4' energy: -138.046 flat angles P-C4'-P energy: -84.624 tors. eta vs tors. theta energy: -149.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1669.494519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.494519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.494519 (E_RNA) where: Base-Base interactions energy: -1118.339 where: short stacking energy: -514.964 Base-Backbone interact. energy: -0.234 local terms energy: -550.921810 where: bonds (distance) C4'-P energy: -104.187 bonds (distance) P-C4' energy: -97.133 flat angles C4'-P-C4' energy: -126.397 flat angles P-C4'-P energy: -77.060 tors. eta vs tors. theta energy: -146.145 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: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1551.966359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.966359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.966359 (E_RNA) where: Base-Base interactions energy: -1033.467 where: short stacking energy: -426.554 Base-Backbone interact. energy: -2.054 local terms energy: -516.444736 where: bonds (distance) C4'-P energy: -121.522 bonds (distance) P-C4' energy: -110.947 flat angles C4'-P-C4' energy: -122.960 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: -96.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1446.575919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.575919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.575919 (E_RNA) where: Base-Base interactions energy: -952.263 where: short stacking energy: -421.013 Base-Backbone interact. energy: -2.530 local terms energy: -491.782564 where: bonds (distance) C4'-P energy: -96.860 bonds (distance) P-C4' energy: -116.160 flat angles C4'-P-C4' energy: -117.457 flat angles P-C4'-P energy: -75.261 tors. eta vs tors. theta energy: -86.045 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: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1166.260818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.260818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.260818 (E_RNA) where: Base-Base interactions energy: -727.780 where: short stacking energy: -346.675 Base-Backbone interact. energy: -1.246 local terms energy: -437.234333 where: bonds (distance) C4'-P energy: -101.045 bonds (distance) P-C4' energy: -106.195 flat angles C4'-P-C4' energy: -99.710 flat angles P-C4'-P energy: -58.606 tors. eta vs tors. theta energy: -71.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -851.902571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.902571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.902571 (E_RNA) where: Base-Base interactions energy: -472.583 where: short stacking energy: -230.662 Base-Backbone interact. energy: -2.553 local terms energy: -376.766499 where: bonds (distance) C4'-P energy: -103.528 bonds (distance) P-C4' energy: -96.725 flat angles C4'-P-C4' energy: -88.510 flat angles P-C4'-P energy: -74.997 tors. eta vs tors. theta energy: -13.008 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: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -524.290803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.290803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.290803 (E_RNA) where: Base-Base interactions energy: -186.190 where: short stacking energy: -142.439 Base-Backbone interact. energy: 1.481 local terms energy: -339.581793 where: bonds (distance) C4'-P energy: -99.431 bonds (distance) P-C4' energy: -107.047 flat angles C4'-P-C4' energy: -93.808 flat angles P-C4'-P energy: -61.294 tors. eta vs tors. theta energy: 21.997 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: 9 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -486.981290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.981290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.981290 (E_RNA) where: Base-Base interactions energy: -180.110 where: short stacking energy: -143.904 Base-Backbone interact. energy: 2.501 local terms energy: -309.372591 where: bonds (distance) C4'-P energy: -99.532 bonds (distance) P-C4' energy: -90.398 flat angles C4'-P-C4' energy: -83.684 flat angles P-C4'-P energy: -42.015 tors. eta vs tors. theta energy: 6.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2179.577213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.577213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.577213 (E_RNA) where: Base-Base interactions energy: -1496.933 where: short stacking energy: -618.017 Base-Backbone interact. energy: -3.115 local terms energy: -679.529151 where: bonds (distance) C4'-P energy: -122.348 bonds (distance) P-C4' energy: -118.236 flat angles C4'-P-C4' energy: -151.062 flat angles P-C4'-P energy: -102.584 tors. eta vs tors. theta energy: -185.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2008.362786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.362786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.362786 (E_RNA) where: Base-Base interactions energy: -1386.839 where: short stacking energy: -565.330 Base-Backbone interact. energy: 4.935 local terms energy: -626.459151 where: bonds (distance) C4'-P energy: -110.937 bonds (distance) P-C4' energy: -119.612 flat angles C4'-P-C4' energy: -143.916 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -166.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1866.882466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.882466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.882466 (E_RNA) where: Base-Base interactions energy: -1257.838 where: short stacking energy: -561.781 Base-Backbone interact. energy: 1.819 local terms energy: -610.862980 where: bonds (distance) C4'-P energy: -109.959 bonds (distance) P-C4' energy: -123.019 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -85.744 tors. eta vs tors. theta energy: -166.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1690.120672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.120672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.120672 (E_RNA) where: Base-Base interactions energy: -1134.483 where: short stacking energy: -482.301 Base-Backbone interact. energy: 3.700 local terms energy: -559.337602 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -124.399 flat angles P-C4'-P energy: -80.234 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1616.410869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.410869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.410869 (E_RNA) where: Base-Base interactions energy: -1092.915 where: short stacking energy: -460.331 Base-Backbone interact. energy: 2.798 local terms energy: -526.294163 where: bonds (distance) C4'-P energy: -98.053 bonds (distance) P-C4' energy: -113.256 flat angles C4'-P-C4' energy: -119.523 flat angles P-C4'-P energy: -82.505 tors. eta vs tors. theta energy: -112.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1438.387523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.387523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.387523 (E_RNA) where: Base-Base interactions energy: -932.380 where: short stacking energy: -396.246 Base-Backbone interact. energy: -1.557 local terms energy: -504.450728 where: bonds (distance) C4'-P energy: -108.503 bonds (distance) P-C4' energy: -125.293 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -77.297 tors. eta vs tors. theta energy: -86.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1127.606605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.606605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.606605 (E_RNA) where: Base-Base interactions energy: -667.162 where: short stacking energy: -332.569 Base-Backbone interact. energy: 3.256 local terms energy: -463.700353 where: bonds (distance) C4'-P energy: -99.018 bonds (distance) P-C4' energy: -105.904 flat angles C4'-P-C4' energy: -104.208 flat angles P-C4'-P energy: -78.051 tors. eta vs tors. theta energy: -76.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -932.500045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.500045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.500045 (E_RNA) where: Base-Base interactions energy: -531.610 where: short stacking energy: -261.233 Base-Backbone interact. energy: -2.288 local terms energy: -398.602702 where: bonds (distance) C4'-P energy: -103.756 bonds (distance) P-C4' energy: -113.334 flat angles C4'-P-C4' energy: -102.523 flat angles P-C4'-P energy: -52.995 tors. eta vs tors. theta energy: -25.995 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: 9, replica: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -518.294193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.294193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.294193 (E_RNA) where: Base-Base interactions energy: -170.221 where: short stacking energy: -140.201 Base-Backbone interact. energy: 0.054 local terms energy: -348.126742 where: bonds (distance) C4'-P energy: -104.266 bonds (distance) P-C4' energy: -101.302 flat angles C4'-P-C4' energy: -87.352 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: 16.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -491.170243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.170243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.170243 (E_RNA) where: Base-Base interactions energy: -187.893 where: short stacking energy: -130.822 Base-Backbone interact. energy: 1.581 local terms energy: -304.857617 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -98.123 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: 30.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2153.840580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.840580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.840580 (E_RNA) where: Base-Base interactions energy: -1489.845 where: short stacking energy: -590.695 Base-Backbone interact. energy: -3.815 local terms energy: -660.180795 where: bonds (distance) C4'-P energy: -111.076 bonds (distance) P-C4' energy: -120.941 flat angles C4'-P-C4' energy: -153.222 flat angles P-C4'-P energy: -102.627 tors. eta vs tors. theta energy: -172.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1971.690481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.690481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.690481 (E_RNA) where: Base-Base interactions energy: -1355.929 where: short stacking energy: -585.029 Base-Backbone interact. energy: -4.094 local terms energy: -611.667924 where: bonds (distance) C4'-P energy: -105.880 bonds (distance) P-C4' energy: -127.321 flat angles C4'-P-C4' energy: -124.535 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -167.598 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: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1862.045686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.045686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.045686 (E_RNA) where: Base-Base interactions energy: -1266.341 where: short stacking energy: -550.424 Base-Backbone interact. energy: -2.908 local terms energy: -592.797123 where: bonds (distance) C4'-P energy: -103.837 bonds (distance) P-C4' energy: -120.830 flat angles C4'-P-C4' energy: -143.724 flat angles P-C4'-P energy: -88.602 tors. eta vs tors. theta energy: -135.804 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: 65 Temperature: 1.050000 Total energy: -1712.818174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.818174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.818174 (E_RNA) where: Base-Base interactions energy: -1144.554 where: short stacking energy: -498.261 Base-Backbone interact. energy: -0.133 local terms energy: -568.131336 where: bonds (distance) C4'-P energy: -111.798 bonds (distance) P-C4' energy: -120.445 flat angles C4'-P-C4' energy: -114.175 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -145.008 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: 65 Temperature: 1.100000 Total energy: -1577.906712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.906712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.906712 (E_RNA) where: Base-Base interactions energy: -1054.370 where: short stacking energy: -449.389 Base-Backbone interact. energy: -2.898 local terms energy: -520.638774 where: bonds (distance) C4'-P energy: -102.562 bonds (distance) P-C4' energy: -105.734 flat angles C4'-P-C4' energy: -115.285 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -111.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1449.268205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.268205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.268205 (E_RNA) where: Base-Base interactions energy: -943.054 where: short stacking energy: -388.310 Base-Backbone interact. energy: 3.534 local terms energy: -509.747597 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -108.090 flat angles C4'-P-C4' energy: -127.746 flat angles P-C4'-P energy: -64.169 tors. eta vs tors. theta energy: -100.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1154.213989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.213989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.213989 (E_RNA) where: Base-Base interactions energy: -704.588 where: short stacking energy: -327.629 Base-Backbone interact. energy: -0.803 local terms energy: -448.823521 where: bonds (distance) C4'-P energy: -95.460 bonds (distance) P-C4' energy: -107.684 flat angles C4'-P-C4' energy: -101.543 flat angles P-C4'-P energy: -77.764 tors. eta vs tors. theta energy: -66.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -964.451385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.451385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.451385 (E_RNA) where: Base-Base interactions energy: -563.741 where: short stacking energy: -283.483 Base-Backbone interact. energy: -2.920 local terms energy: -397.790403 where: bonds (distance) C4'-P energy: -105.014 bonds (distance) P-C4' energy: -105.199 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -57.510 tors. eta vs tors. theta energy: -30.527 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: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -528.592562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.592562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.592562 (E_RNA) where: Base-Base interactions energy: -181.867 where: short stacking energy: -134.796 Base-Backbone interact. energy: -2.578 local terms energy: -344.148126 where: bonds (distance) C4'-P energy: -96.920 bonds (distance) P-C4' energy: -115.450 flat angles C4'-P-C4' energy: -84.859 flat angles P-C4'-P energy: -50.520 tors. eta vs tors. theta energy: 3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -484.844650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.844650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.844650 (E_RNA) where: Base-Base interactions energy: -190.632 where: short stacking energy: -132.320 Base-Backbone interact. energy: -0.314 local terms energy: -293.898313 where: bonds (distance) C4'-P energy: -87.322 bonds (distance) P-C4' energy: -101.521 flat angles C4'-P-C4' energy: -73.007 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: 22.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2165.710076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.710076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.710076 (E_RNA) where: Base-Base interactions energy: -1510.495 where: short stacking energy: -610.502 Base-Backbone interact. energy: -2.788 local terms energy: -652.427117 where: bonds (distance) C4'-P energy: -121.372 bonds (distance) P-C4' energy: -122.345 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -102.058 tors. eta vs tors. theta energy: -169.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1962.399424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.399424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.399424 (E_RNA) where: Base-Base interactions energy: -1324.000 where: short stacking energy: -568.460 Base-Backbone interact. energy: -2.313 local terms energy: -636.085973 where: bonds (distance) C4'-P energy: -114.273 bonds (distance) P-C4' energy: -130.140 flat angles C4'-P-C4' energy: -131.056 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -173.388 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: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1868.335433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.335433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.335433 (E_RNA) where: Base-Base interactions energy: -1256.886 where: short stacking energy: -551.138 Base-Backbone interact. energy: 0.139 local terms energy: -611.587960 where: bonds (distance) C4'-P energy: -112.803 bonds (distance) P-C4' energy: -116.358 flat angles C4'-P-C4' energy: -139.002 flat angles P-C4'-P energy: -86.776 tors. eta vs tors. theta energy: -156.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1736.229198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.229198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.229198 (E_RNA) where: Base-Base interactions energy: -1142.635 where: short stacking energy: -518.223 Base-Backbone interact. energy: -1.441 local terms energy: -592.152993 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -118.050 flat angles C4'-P-C4' energy: -123.606 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -149.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1567.537455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.537455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.537455 (E_RNA) where: Base-Base interactions energy: -1059.698 where: short stacking energy: -438.849 Base-Backbone interact. energy: 1.074 local terms energy: -508.913059 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -107.937 flat angles C4'-P-C4' energy: -104.332 flat angles P-C4'-P energy: -72.152 tors. eta vs tors. theta energy: -108.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1366.519309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.519309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.519309 (E_RNA) where: Base-Base interactions energy: -883.285 where: short stacking energy: -384.040 Base-Backbone interact. energy: -2.685 local terms energy: -480.549964 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -107.963 flat angles C4'-P-C4' energy: -109.191 flat angles P-C4'-P energy: -73.993 tors. eta vs tors. theta energy: -93.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1187.062085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.062085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.062085 (E_RNA) where: Base-Base interactions energy: -723.940 where: short stacking energy: -363.962 Base-Backbone interact. energy: -2.320 local terms energy: -460.801712 where: bonds (distance) C4'-P energy: -100.933 bonds (distance) P-C4' energy: -105.070 flat angles C4'-P-C4' energy: -93.430 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -85.623 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: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -888.659409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.659409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.659409 (E_RNA) where: Base-Base interactions energy: -494.129 where: short stacking energy: -235.630 Base-Backbone interact. energy: -0.815 local terms energy: -393.715796 where: bonds (distance) C4'-P energy: -100.593 bonds (distance) P-C4' energy: -96.151 flat angles C4'-P-C4' energy: -109.656 flat angles P-C4'-P energy: -61.386 tors. eta vs tors. theta energy: -25.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -496.980958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.980958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.980958 (E_RNA) where: Base-Base interactions energy: -179.821 where: short stacking energy: -147.151 Base-Backbone interact. energy: -1.375 local terms energy: -315.784904 where: bonds (distance) C4'-P energy: -73.969 bonds (distance) P-C4' energy: -109.213 flat angles C4'-P-C4' energy: -81.890 flat angles P-C4'-P energy: -68.036 tors. eta vs tors. theta energy: 17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -480.423703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.423703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.423703 (E_RNA) where: Base-Base interactions energy: -189.326 where: short stacking energy: -130.832 Base-Backbone interact. energy: -2.536 local terms energy: -288.561282 where: bonds (distance) C4'-P energy: -96.136 bonds (distance) P-C4' energy: -102.396 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -49.371 tors. eta vs tors. theta energy: 24.424 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: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2164.163610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.163610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.163610 (E_RNA) where: Base-Base interactions energy: -1499.757 where: short stacking energy: -618.712 Base-Backbone interact. energy: -3.192 local terms energy: -661.214564 where: bonds (distance) C4'-P energy: -128.393 bonds (distance) P-C4' energy: -132.264 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -92.734 tors. eta vs tors. theta energy: -170.776 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: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1973.775275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.775275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.775275 (E_RNA) where: Base-Base interactions energy: -1333.351 where: short stacking energy: -567.231 Base-Backbone interact. energy: -0.461 local terms energy: -639.962875 where: bonds (distance) C4'-P energy: -130.840 bonds (distance) P-C4' energy: -117.883 flat angles C4'-P-C4' energy: -143.186 flat angles P-C4'-P energy: -73.860 tors. eta vs tors. theta energy: -174.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1870.302145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.302145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.302145 (E_RNA) where: Base-Base interactions energy: -1258.541 where: short stacking energy: -553.624 Base-Backbone interact. energy: -2.232 local terms energy: -609.528931 where: bonds (distance) C4'-P energy: -117.923 bonds (distance) P-C4' energy: -117.316 flat angles C4'-P-C4' energy: -127.890 flat angles P-C4'-P energy: -81.673 tors. eta vs tors. theta energy: -164.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1743.865323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.865323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.865323 (E_RNA) where: Base-Base interactions energy: -1148.252 where: short stacking energy: -508.299 Base-Backbone interact. energy: -2.330 local terms energy: -593.283224 where: bonds (distance) C4'-P energy: -109.387 bonds (distance) P-C4' energy: -119.323 flat angles C4'-P-C4' energy: -128.515 flat angles P-C4'-P energy: -88.007 tors. eta vs tors. theta energy: -148.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1513.985451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.985451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.985451 (E_RNA) where: Base-Base interactions energy: -995.746 where: short stacking energy: -428.128 Base-Backbone interact. energy: -1.818 local terms energy: -516.420637 where: bonds (distance) C4'-P energy: -85.626 bonds (distance) P-C4' energy: -126.791 flat angles C4'-P-C4' energy: -120.381 flat angles P-C4'-P energy: -77.935 tors. eta vs tors. theta energy: -105.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1372.182428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.182428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.182428 (E_RNA) where: Base-Base interactions energy: -888.705 where: short stacking energy: -402.344 Base-Backbone interact. energy: -1.525 local terms energy: -481.952848 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -119.532 flat angles P-C4'-P energy: -59.126 tors. eta vs tors. theta energy: -90.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1177.620946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.620946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.620946 (E_RNA) where: Base-Base interactions energy: -707.359 where: short stacking energy: -357.929 Base-Backbone interact. energy: -1.058 local terms energy: -469.204687 where: bonds (distance) C4'-P energy: -105.348 bonds (distance) P-C4' energy: -105.733 flat angles C4'-P-C4' energy: -111.174 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -79.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -934.661386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.661386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.661386 (E_RNA) where: Base-Base interactions energy: -539.644 where: short stacking energy: -248.930 Base-Backbone interact. energy: 1.535 local terms energy: -396.552673 where: bonds (distance) C4'-P energy: -108.930 bonds (distance) P-C4' energy: -107.521 flat angles C4'-P-C4' energy: -88.274 flat angles P-C4'-P energy: -71.056 tors. eta vs tors. theta energy: -20.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -502.592526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.592526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.592526 (E_RNA) where: Base-Base interactions energy: -175.142 where: short stacking energy: -137.797 Base-Backbone interact. energy: -0.991 local terms energy: -326.459983 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -113.092 flat angles C4'-P-C4' energy: -83.742 flat angles P-C4'-P energy: -41.672 tors. eta vs tors. theta energy: -0.808 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: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -472.878311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.878311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.878311 (E_RNA) where: Base-Base interactions energy: -172.363 where: short stacking energy: -136.412 Base-Backbone interact. energy: -0.085 local terms energy: -300.430287 where: bonds (distance) C4'-P energy: -83.786 bonds (distance) P-C4' energy: -106.895 flat angles C4'-P-C4' energy: -81.602 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: 23.144 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: 10 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2178.360639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.360639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.360639 (E_RNA) where: Base-Base interactions energy: -1521.027 where: short stacking energy: -590.833 Base-Backbone interact. energy: -0.166 local terms energy: -657.167937 where: bonds (distance) C4'-P energy: -113.885 bonds (distance) P-C4' energy: -138.108 flat angles C4'-P-C4' energy: -138.784 flat angles P-C4'-P energy: -93.212 tors. eta vs tors. theta energy: -173.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1956.349447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.349447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.349447 (E_RNA) where: Base-Base interactions energy: -1324.701 where: short stacking energy: -575.929 Base-Backbone interact. energy: -2.165 local terms energy: -629.483914 where: bonds (distance) C4'-P energy: -124.002 bonds (distance) P-C4' energy: -116.660 flat angles C4'-P-C4' energy: -133.841 flat angles P-C4'-P energy: -80.703 tors. eta vs tors. theta energy: -174.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1842.375514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.375514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.375514 (E_RNA) where: Base-Base interactions energy: -1244.267 where: short stacking energy: -520.950 Base-Backbone interact. energy: -2.012 local terms energy: -596.096656 where: bonds (distance) C4'-P energy: -119.349 bonds (distance) P-C4' energy: -119.059 flat angles C4'-P-C4' energy: -122.845 flat angles P-C4'-P energy: -86.138 tors. eta vs tors. theta energy: -148.706 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: 3 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1776.114621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.114621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.114621 (E_RNA) where: Base-Base interactions energy: -1180.742 where: short stacking energy: -548.504 Base-Backbone interact. energy: -1.235 local terms energy: -594.137732 where: bonds (distance) C4'-P energy: -102.613 bonds (distance) P-C4' energy: -122.723 flat angles C4'-P-C4' energy: -125.878 flat angles P-C4'-P energy: -87.896 tors. eta vs tors. theta energy: -155.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1490.371943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.371943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.371943 (E_RNA) where: Base-Base interactions energy: -943.687 where: short stacking energy: -409.091 Base-Backbone interact. energy: -1.052 local terms energy: -545.633515 where: bonds (distance) C4'-P energy: -104.137 bonds (distance) P-C4' energy: -116.806 flat angles C4'-P-C4' energy: -132.854 flat angles P-C4'-P energy: -82.881 tors. eta vs tors. theta energy: -108.955 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: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1392.117822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.117822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.117822 (E_RNA) where: Base-Base interactions energy: -902.348 where: short stacking energy: -399.043 Base-Backbone interact. energy: 4.682 local terms energy: -494.452229 where: bonds (distance) C4'-P energy: -111.725 bonds (distance) P-C4' energy: -110.196 flat angles C4'-P-C4' energy: -112.627 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -85.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1183.766225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.766225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.766225 (E_RNA) where: Base-Base interactions energy: -721.711 where: short stacking energy: -342.086 Base-Backbone interact. energy: 0.492 local terms energy: -462.547032 where: bonds (distance) C4'-P energy: -95.453 bonds (distance) P-C4' energy: -110.369 flat angles C4'-P-C4' energy: -114.480 flat angles P-C4'-P energy: -72.478 tors. eta vs tors. theta energy: -69.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -963.941158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.941158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.941158 (E_RNA) where: Base-Base interactions energy: -549.104 where: short stacking energy: -248.672 Base-Backbone interact. energy: 5.805 local terms energy: -420.641805 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -116.215 flat angles C4'-P-C4' energy: -105.808 flat angles P-C4'-P energy: -55.412 tors. eta vs tors. theta energy: -45.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -497.571354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.571354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.571354 (E_RNA) where: Base-Base interactions energy: -189.881 where: short stacking energy: -164.537 Base-Backbone interact. energy: 0.874 local terms energy: -308.564610 where: bonds (distance) C4'-P energy: -70.701 bonds (distance) P-C4' energy: -111.402 flat angles C4'-P-C4' energy: -95.322 flat angles P-C4'-P energy: -37.316 tors. eta vs tors. theta energy: 6.176 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: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -455.816069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.816069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.816069 (E_RNA) where: Base-Base interactions energy: -159.616 where: short stacking energy: -114.858 Base-Backbone interact. energy: -3.098 local terms energy: -293.101980 where: bonds (distance) C4'-P energy: -91.190 bonds (distance) P-C4' energy: -94.339 flat angles C4'-P-C4' energy: -80.272 flat angles P-C4'-P energy: -62.800 tors. eta vs tors. theta energy: 35.499 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: 10 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2172.930575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.930575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.930575 (E_RNA) where: Base-Base interactions energy: -1534.531 where: short stacking energy: -608.155 Base-Backbone interact. energy: -3.095 local terms energy: -635.305444 where: bonds (distance) C4'-P energy: -110.116 bonds (distance) P-C4' energy: -116.930 flat angles C4'-P-C4' energy: -133.312 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -180.223 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: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1988.063254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.063254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.063254 (E_RNA) where: Base-Base interactions energy: -1329.210 where: short stacking energy: -578.431 Base-Backbone interact. energy: -0.077 local terms energy: -658.776274 where: bonds (distance) C4'-P energy: -118.634 bonds (distance) P-C4' energy: -134.147 flat angles C4'-P-C4' energy: -136.856 flat angles P-C4'-P energy: -92.772 tors. eta vs tors. theta energy: -176.367 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: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1885.778830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.778830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.778830 (E_RNA) where: Base-Base interactions energy: -1244.189 where: short stacking energy: -541.076 Base-Backbone interact. energy: -0.631 local terms energy: -640.958914 where: bonds (distance) C4'-P energy: -135.094 bonds (distance) P-C4' energy: -124.879 flat angles C4'-P-C4' energy: -144.438 flat angles P-C4'-P energy: -97.029 tors. eta vs tors. theta energy: -139.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1764.551790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.551790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.551790 (E_RNA) where: Base-Base interactions energy: -1156.584 where: short stacking energy: -496.185 Base-Backbone interact. energy: 0.550 local terms energy: -608.517039 where: bonds (distance) C4'-P energy: -101.679 bonds (distance) P-C4' energy: -118.284 flat angles C4'-P-C4' energy: -145.857 flat angles P-C4'-P energy: -97.409 tors. eta vs tors. theta energy: -145.289 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1488.720560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.720560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.720560 (E_RNA) where: Base-Base interactions energy: -980.017 where: short stacking energy: -419.506 Base-Backbone interact. energy: 1.813 local terms energy: -510.516435 where: bonds (distance) C4'-P energy: -115.288 bonds (distance) P-C4' energy: -100.083 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -74.821 tors. eta vs tors. theta energy: -101.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1450.921278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.921278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.921278 (E_RNA) where: Base-Base interactions energy: -926.900 where: short stacking energy: -418.753 Base-Backbone interact. energy: 1.278 local terms energy: -525.298641 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -127.966 flat angles P-C4'-P energy: -80.155 tors. eta vs tors. theta energy: -100.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1217.600992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.600992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.600992 (E_RNA) where: Base-Base interactions energy: -762.103 where: short stacking energy: -350.688 Base-Backbone interact. energy: -2.879 local terms energy: -452.619858 where: bonds (distance) C4'-P energy: -104.985 bonds (distance) P-C4' energy: -116.343 flat angles C4'-P-C4' energy: -107.423 flat angles P-C4'-P energy: -47.863 tors. eta vs tors. theta energy: -76.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -991.682867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.682867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.682867 (E_RNA) where: Base-Base interactions energy: -583.637 where: short stacking energy: -271.211 Base-Backbone interact. energy: -1.832 local terms energy: -406.213200 where: bonds (distance) C4'-P energy: -87.034 bonds (distance) P-C4' energy: -103.060 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -57.562 tors. eta vs tors. theta energy: -49.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -518.838100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.838100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.838100 (E_RNA) where: Base-Base interactions energy: -203.373 where: short stacking energy: -160.485 Base-Backbone interact. energy: 0.557 local terms energy: -316.022636 where: bonds (distance) C4'-P energy: -87.917 bonds (distance) P-C4' energy: -101.191 flat angles C4'-P-C4' energy: -92.151 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: 11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -470.200846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.200846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.200846 (E_RNA) where: Base-Base interactions energy: -142.818 where: short stacking energy: -94.709 Base-Backbone interact. energy: 3.948 local terms energy: -331.330005 where: bonds (distance) C4'-P energy: -95.730 bonds (distance) P-C4' energy: -106.915 flat angles C4'-P-C4' energy: -85.352 flat angles P-C4'-P energy: -67.965 tors. eta vs tors. theta energy: 24.632 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: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2162.691093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.691093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.691093 (E_RNA) where: Base-Base interactions energy: -1495.562 where: short stacking energy: -588.594 Base-Backbone interact. energy: -2.169 local terms energy: -664.960320 where: bonds (distance) C4'-P energy: -112.771 bonds (distance) P-C4' energy: -126.447 flat angles C4'-P-C4' energy: -143.204 flat angles P-C4'-P energy: -110.512 tors. eta vs tors. theta energy: -172.026 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: 70 Temperature: 0.950000 Total energy: -1967.878816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.878816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.878816 (E_RNA) where: Base-Base interactions energy: -1342.032 where: short stacking energy: -561.157 Base-Backbone interact. energy: 0.570 local terms energy: -626.417500 where: bonds (distance) C4'-P energy: -121.674 bonds (distance) P-C4' energy: -122.359 flat angles C4'-P-C4' energy: -120.092 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -170.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1874.944513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.944513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.944513 (E_RNA) where: Base-Base interactions energy: -1264.659 where: short stacking energy: -551.779 Base-Backbone interact. energy: -3.136 local terms energy: -607.150192 where: bonds (distance) C4'-P energy: -116.534 bonds (distance) P-C4' energy: -113.165 flat angles C4'-P-C4' energy: -134.667 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -162.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1745.629673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.629673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.629673 (E_RNA) where: Base-Base interactions energy: -1178.985 where: short stacking energy: -521.664 Base-Backbone interact. energy: -1.826 local terms energy: -564.818802 where: bonds (distance) C4'-P energy: -95.990 bonds (distance) P-C4' energy: -122.470 flat angles C4'-P-C4' energy: -120.997 flat angles P-C4'-P energy: -72.616 tors. eta vs tors. theta energy: -152.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1481.012942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.012942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.012942 (E_RNA) where: Base-Base interactions energy: -970.554 where: short stacking energy: -436.824 Base-Backbone interact. energy: -4.320 local terms energy: -506.138492 where: bonds (distance) C4'-P energy: -108.093 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -115.739 flat angles P-C4'-P energy: -70.361 tors. eta vs tors. theta energy: -106.064 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: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1526.088032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.088032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.088032 (E_RNA) where: Base-Base interactions energy: -1014.347 where: short stacking energy: -450.341 Base-Backbone interact. energy: 0.402 local terms energy: -512.143087 where: bonds (distance) C4'-P energy: -117.015 bonds (distance) P-C4' energy: -100.701 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -67.321 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: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1184.522400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.522400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.522400 (E_RNA) where: Base-Base interactions energy: -718.891 where: short stacking energy: -327.745 Base-Backbone interact. energy: -0.990 local terms energy: -464.641181 where: bonds (distance) C4'-P energy: -96.419 bonds (distance) P-C4' energy: -110.638 flat angles C4'-P-C4' energy: -119.374 flat angles P-C4'-P energy: -66.979 tors. eta vs tors. theta energy: -71.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -949.328428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.328428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.328428 (E_RNA) where: Base-Base interactions energy: -565.299 where: short stacking energy: -284.221 Base-Backbone interact. energy: -2.771 local terms energy: -381.258153 where: bonds (distance) C4'-P energy: -94.435 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -100.679 flat angles P-C4'-P energy: -53.735 tors. eta vs tors. theta energy: -40.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -496.476656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.476656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.476656 (E_RNA) where: Base-Base interactions energy: -162.944 where: short stacking energy: -143.153 Base-Backbone interact. energy: 1.600 local terms energy: -335.132471 where: bonds (distance) C4'-P energy: -93.599 bonds (distance) P-C4' energy: -97.797 flat angles C4'-P-C4' energy: -105.862 flat angles P-C4'-P energy: -50.175 tors. eta vs tors. theta energy: 12.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -459.109013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.109013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.109013 (E_RNA) where: Base-Base interactions energy: -158.789 where: short stacking energy: -147.741 Base-Backbone interact. energy: -3.468 local terms energy: -296.851824 where: bonds (distance) C4'-P energy: -82.240 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -88.611 flat angles P-C4'-P energy: -39.413 tors. eta vs tors. theta energy: 23.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2176.169568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.169568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.169568 (E_RNA) where: Base-Base interactions energy: -1522.959 where: short stacking energy: -602.438 Base-Backbone interact. energy: -4.330 local terms energy: -648.881073 where: bonds (distance) C4'-P energy: -122.344 bonds (distance) P-C4' energy: -125.131 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -89.353 tors. eta vs tors. theta energy: -170.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1933.839092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.839092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.839092 (E_RNA) where: Base-Base interactions energy: -1291.593 where: short stacking energy: -587.335 Base-Backbone interact. energy: -0.604 local terms energy: -641.642094 where: bonds (distance) C4'-P energy: -112.847 bonds (distance) P-C4' energy: -118.366 flat angles C4'-P-C4' energy: -140.278 flat angles P-C4'-P energy: -104.434 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: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1915.899397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.899397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.899397 (E_RNA) where: Base-Base interactions energy: -1282.380 where: short stacking energy: -552.839 Base-Backbone interact. energy: -1.260 local terms energy: -632.259297 where: bonds (distance) C4'-P energy: -110.983 bonds (distance) P-C4' energy: -103.916 flat angles C4'-P-C4' energy: -139.030 flat angles P-C4'-P energy: -97.582 tors. eta vs tors. theta energy: -180.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1773.295770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.295770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.295770 (E_RNA) where: Base-Base interactions energy: -1181.789 where: short stacking energy: -527.279 Base-Backbone interact. energy: -3.560 local terms energy: -587.946148 where: bonds (distance) C4'-P energy: -129.058 bonds (distance) P-C4' energy: -112.417 flat angles C4'-P-C4' energy: -126.705 flat angles P-C4'-P energy: -70.551 tors. eta vs tors. theta energy: -149.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1497.717059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.717059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.717059 (E_RNA) where: Base-Base interactions energy: -945.210 where: short stacking energy: -428.738 Base-Backbone interact. energy: -2.297 local terms energy: -550.209633 where: bonds (distance) C4'-P energy: -116.833 bonds (distance) P-C4' energy: -115.160 flat angles C4'-P-C4' energy: -114.055 flat angles P-C4'-P energy: -87.444 tors. eta vs tors. theta energy: -116.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1542.551252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.551252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.551252 (E_RNA) where: Base-Base interactions energy: -995.180 where: short stacking energy: -430.276 Base-Backbone interact. energy: 2.815 local terms energy: -550.186876 where: bonds (distance) C4'-P energy: -111.034 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -121.470 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -121.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1159.337258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.337258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.337258 (E_RNA) where: Base-Base interactions energy: -712.133 where: short stacking energy: -337.056 Base-Backbone interact. energy: -3.739 local terms energy: -443.465477 where: bonds (distance) C4'-P energy: -111.677 bonds (distance) P-C4' energy: -107.440 flat angles C4'-P-C4' energy: -103.539 flat angles P-C4'-P energy: -62.321 tors. eta vs tors. theta energy: -58.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -963.317874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.317874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.317874 (E_RNA) where: Base-Base interactions energy: -544.537 where: short stacking energy: -294.911 Base-Backbone interact. energy: 2.315 local terms energy: -421.096160 where: bonds (distance) C4'-P energy: -118.524 bonds (distance) P-C4' energy: -94.554 flat angles C4'-P-C4' energy: -108.376 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -47.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -512.459734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.459734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.459734 (E_RNA) where: Base-Base interactions energy: -195.084 where: short stacking energy: -168.176 Base-Backbone interact. energy: 3.599 local terms energy: -320.974344 where: bonds (distance) C4'-P energy: -83.412 bonds (distance) P-C4' energy: -87.103 flat angles C4'-P-C4' energy: -97.250 flat angles P-C4'-P energy: -57.239 tors. eta vs tors. theta energy: 4.030 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: 10, replica: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -451.929643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.929643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.929643 (E_RNA) where: Base-Base interactions energy: -122.630 where: short stacking energy: -91.161 Base-Backbone interact. energy: -1.393 local terms energy: -327.907010 where: bonds (distance) C4'-P energy: -110.896 bonds (distance) P-C4' energy: -117.490 flat angles C4'-P-C4' energy: -88.753 flat angles P-C4'-P energy: -41.249 tors. eta vs tors. theta energy: 30.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2186.571687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.571687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.571687 (E_RNA) where: Base-Base interactions energy: -1517.008 where: short stacking energy: -596.701 Base-Backbone interact. energy: 1.479 local terms energy: -671.042625 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -132.253 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -101.970 tors. eta vs tors. theta energy: -177.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1964.099269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.099269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.099269 (E_RNA) where: Base-Base interactions energy: -1343.444 where: short stacking energy: -581.717 Base-Backbone interact. energy: -1.954 local terms energy: -618.700696 where: bonds (distance) C4'-P energy: -115.694 bonds (distance) P-C4' energy: -119.427 flat angles C4'-P-C4' energy: -134.727 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -169.131 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1899.630894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.630894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.630894 (E_RNA) where: Base-Base interactions energy: -1283.448 where: short stacking energy: -560.027 Base-Backbone interact. energy: -0.970 local terms energy: -615.212172 where: bonds (distance) C4'-P energy: -114.005 bonds (distance) P-C4' energy: -115.707 flat angles C4'-P-C4' energy: -138.880 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -165.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1738.490732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.490732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.490732 (E_RNA) where: Base-Base interactions energy: -1160.888 where: short stacking energy: -507.040 Base-Backbone interact. energy: 2.158 local terms energy: -579.761111 where: bonds (distance) C4'-P energy: -117.395 bonds (distance) P-C4' energy: -115.386 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -138.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1601.327287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.327287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.327287 (E_RNA) where: Base-Base interactions energy: -1040.331 where: short stacking energy: -458.305 Base-Backbone interact. energy: -2.428 local terms energy: -558.568128 where: bonds (distance) C4'-P energy: -107.334 bonds (distance) P-C4' energy: -115.795 flat angles C4'-P-C4' energy: -125.677 flat angles P-C4'-P energy: -82.901 tors. eta vs tors. theta energy: -126.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1464.225298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.225298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.225298 (E_RNA) where: Base-Base interactions energy: -950.327 where: short stacking energy: -431.756 Base-Backbone interact. energy: 1.129 local terms energy: -515.027716 where: bonds (distance) C4'-P energy: -107.787 bonds (distance) P-C4' energy: -111.914 flat angles C4'-P-C4' energy: -107.435 flat angles P-C4'-P energy: -64.763 tors. eta vs tors. theta energy: -123.129 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: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1163.482849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.482849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.482849 (E_RNA) where: Base-Base interactions energy: -706.681 where: short stacking energy: -336.949 Base-Backbone interact. energy: -0.892 local terms energy: -455.909492 where: bonds (distance) C4'-P energy: -90.929 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -107.626 flat angles P-C4'-P energy: -67.035 tors. eta vs tors. theta energy: -76.202 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: 8, replica: 1 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -951.210950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.210950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.210950 (E_RNA) where: Base-Base interactions energy: -534.542 where: short stacking energy: -278.592 Base-Backbone interact. energy: 0.050 local terms energy: -416.718243 where: bonds (distance) C4'-P energy: -110.334 bonds (distance) P-C4' energy: -108.760 flat angles C4'-P-C4' energy: -106.616 flat angles P-C4'-P energy: -56.167 tors. eta vs tors. theta energy: -34.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -517.994699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.994699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.994699 (E_RNA) where: Base-Base interactions energy: -204.293 where: short stacking energy: -156.626 Base-Backbone interact. energy: 2.636 local terms energy: -316.337637 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -119.958 flat angles C4'-P-C4' energy: -71.668 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: 8.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -479.649019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.649019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.649019 (E_RNA) where: Base-Base interactions energy: -178.862 where: short stacking energy: -153.531 Base-Backbone interact. energy: 0.573 local terms energy: -301.360171 where: bonds (distance) C4'-P energy: -80.774 bonds (distance) P-C4' energy: -108.162 flat angles C4'-P-C4' energy: -86.560 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: 27.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2185.704395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.704395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.704395 (E_RNA) where: Base-Base interactions energy: -1526.941 where: short stacking energy: -610.172 Base-Backbone interact. energy: -3.721 local terms energy: -655.042680 where: bonds (distance) C4'-P energy: -114.815 bonds (distance) P-C4' energy: -127.087 flat angles C4'-P-C4' energy: -150.374 flat angles P-C4'-P energy: -90.767 tors. eta vs tors. theta energy: -171.999 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: 2, replica: 8 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1964.802988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.802988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.802988 (E_RNA) where: Base-Base interactions energy: -1316.478 where: short stacking energy: -595.825 Base-Backbone interact. energy: 1.328 local terms energy: -649.653023 where: bonds (distance) C4'-P energy: -119.577 bonds (distance) P-C4' energy: -124.224 flat angles C4'-P-C4' energy: -140.863 flat angles P-C4'-P energy: -97.072 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1945.075504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.075504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.075504 (E_RNA) where: Base-Base interactions energy: -1349.415 where: short stacking energy: -560.582 Base-Backbone interact. energy: -2.781 local terms energy: -592.879191 where: bonds (distance) C4'-P energy: -114.398 bonds (distance) P-C4' energy: -101.865 flat angles C4'-P-C4' energy: -124.077 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -165.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1768.523546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.523546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.523546 (E_RNA) where: Base-Base interactions energy: -1160.399 where: short stacking energy: -488.286 Base-Backbone interact. energy: -0.174 local terms energy: -607.950627 where: bonds (distance) C4'-P energy: -124.839 bonds (distance) P-C4' energy: -112.091 flat angles C4'-P-C4' energy: -127.592 flat angles P-C4'-P energy: -91.600 tors. eta vs tors. theta energy: -151.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1603.941256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.941256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.941256 (E_RNA) where: Base-Base interactions energy: -1048.839 where: short stacking energy: -453.929 Base-Backbone interact. energy: -3.115 local terms energy: -551.987770 where: bonds (distance) C4'-P energy: -115.152 bonds (distance) P-C4' energy: -114.427 flat angles C4'-P-C4' energy: -118.525 flat angles P-C4'-P energy: -87.425 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: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1483.130996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.130996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.130996 (E_RNA) where: Base-Base interactions energy: -968.963 where: short stacking energy: -422.941 Base-Backbone interact. energy: -0.832 local terms energy: -513.335784 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -101.823 flat angles C4'-P-C4' energy: -121.234 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -113.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1183.868741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.868741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.868741 (E_RNA) where: Base-Base interactions energy: -734.038 where: short stacking energy: -334.401 Base-Backbone interact. energy: 0.483 local terms energy: -450.314505 where: bonds (distance) C4'-P energy: -114.407 bonds (distance) P-C4' energy: -100.758 flat angles C4'-P-C4' energy: -97.936 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -73.222 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: 1 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1001.782906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.782906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.782906 (E_RNA) where: Base-Base interactions energy: -584.025 where: short stacking energy: -273.512 Base-Backbone interact. energy: -0.252 local terms energy: -417.505554 where: bonds (distance) C4'-P energy: -104.167 bonds (distance) P-C4' energy: -106.829 flat angles C4'-P-C4' energy: -93.537 flat angles P-C4'-P energy: -77.412 tors. eta vs tors. theta energy: -35.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -477.499957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.499957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.499957 (E_RNA) where: Base-Base interactions energy: -137.565 where: short stacking energy: -127.684 Base-Backbone interact. energy: -1.290 local terms energy: -338.644941 where: bonds (distance) C4'-P energy: -109.726 bonds (distance) P-C4' energy: -119.481 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: 12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -460.344128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.344128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.344128 (E_RNA) where: Base-Base interactions energy: -158.170 where: short stacking energy: -123.973 Base-Backbone interact. energy: 4.247 local terms energy: -306.422021 where: bonds (distance) C4'-P energy: -95.799 bonds (distance) P-C4' energy: -105.169 flat angles C4'-P-C4' energy: -75.318 flat angles P-C4'-P energy: -40.860 tors. eta vs tors. theta energy: 10.724 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: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2188.249809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.249809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.249809 (E_RNA) where: Base-Base interactions energy: -1514.786 where: short stacking energy: -615.111 Base-Backbone interact. energy: 1.994 local terms energy: -675.458303 where: bonds (distance) C4'-P energy: -131.787 bonds (distance) P-C4' energy: -121.045 flat angles C4'-P-C4' energy: -139.950 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -183.049 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: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1979.533136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.533136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.533136 (E_RNA) where: Base-Base interactions energy: -1337.896 where: short stacking energy: -589.095 Base-Backbone interact. energy: -2.252 local terms energy: -639.385665 where: bonds (distance) C4'-P energy: -113.596 bonds (distance) P-C4' energy: -130.611 flat angles C4'-P-C4' energy: -123.855 flat angles P-C4'-P energy: -97.948 tors. eta vs tors. theta energy: -173.375 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: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1913.476111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.476111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.476111 (E_RNA) where: Base-Base interactions energy: -1307.293 where: short stacking energy: -557.067 Base-Backbone interact. energy: 3.337 local terms energy: -609.519817 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -116.073 flat angles C4'-P-C4' energy: -123.243 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -176.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1788.251490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.251490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.251490 (E_RNA) where: Base-Base interactions energy: -1204.247 where: short stacking energy: -529.780 Base-Backbone interact. energy: 1.067 local terms energy: -585.071659 where: bonds (distance) C4'-P energy: -106.048 bonds (distance) P-C4' energy: -120.073 flat angles C4'-P-C4' energy: -131.742 flat angles P-C4'-P energy: -71.203 tors. eta vs tors. theta energy: -156.006 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: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1657.964615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.964615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.964615 (E_RNA) where: Base-Base interactions energy: -1097.997 where: short stacking energy: -489.067 Base-Backbone interact. energy: 3.682 local terms energy: -563.649867 where: bonds (distance) C4'-P energy: -106.094 bonds (distance) P-C4' energy: -112.707 flat angles C4'-P-C4' energy: -127.420 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -130.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1483.786099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.786099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.786099 (E_RNA) where: Base-Base interactions energy: -954.039 where: short stacking energy: -399.527 Base-Backbone interact. energy: -1.666 local terms energy: -528.081389 where: bonds (distance) C4'-P energy: -104.489 bonds (distance) P-C4' energy: -117.778 flat angles C4'-P-C4' energy: -120.217 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -100.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1255.405939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.405939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.405939 (E_RNA) where: Base-Base interactions energy: -790.391 where: short stacking energy: -350.884 Base-Backbone interact. energy: 1.392 local terms energy: -466.406397 where: bonds (distance) C4'-P energy: -99.237 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -84.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1007.573931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.573931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.573931 (E_RNA) where: Base-Base interactions energy: -605.216 where: short stacking energy: -299.698 Base-Backbone interact. energy: 0.630 local terms energy: -402.988106 where: bonds (distance) C4'-P energy: -86.641 bonds (distance) P-C4' energy: -101.340 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -58.397 tors. eta vs tors. theta energy: -45.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -502.276293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.276293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.276293 (E_RNA) where: Base-Base interactions energy: -160.844 where: short stacking energy: -121.955 Base-Backbone interact. energy: -1.995 local terms energy: -339.437311 where: bonds (distance) C4'-P energy: -91.653 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: 16.870 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: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -457.208501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.208501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.208501 (E_RNA) where: Base-Base interactions energy: -139.797 where: short stacking energy: -113.480 Base-Backbone interact. energy: 6.963 local terms energy: -324.375059 where: bonds (distance) C4'-P energy: -92.097 bonds (distance) P-C4' energy: -105.849 flat angles C4'-P-C4' energy: -100.243 flat angles P-C4'-P energy: -41.282 tors. eta vs tors. theta energy: 15.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2191.041956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.041956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.041956 (E_RNA) where: Base-Base interactions energy: -1531.973 where: short stacking energy: -610.889 Base-Backbone interact. energy: -3.210 local terms energy: -655.858961 where: bonds (distance) C4'-P energy: -120.435 bonds (distance) P-C4' energy: -120.705 flat angles C4'-P-C4' energy: -145.939 flat angles P-C4'-P energy: -91.766 tors. eta vs tors. theta energy: -177.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1976.371947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.371947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.371947 (E_RNA) where: Base-Base interactions energy: -1342.732 where: short stacking energy: -565.644 Base-Backbone interact. energy: 0.463 local terms energy: -634.103716 where: bonds (distance) C4'-P energy: -123.968 bonds (distance) P-C4' energy: -121.923 flat angles C4'-P-C4' energy: -129.408 flat angles P-C4'-P energy: -83.691 tors. eta vs tors. theta energy: -175.114 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: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1945.415819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.415819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.415819 (E_RNA) where: Base-Base interactions energy: -1336.123 where: short stacking energy: -554.270 Base-Backbone interact. energy: -0.923 local terms energy: -608.370255 where: bonds (distance) C4'-P energy: -106.482 bonds (distance) P-C4' energy: -116.798 flat angles C4'-P-C4' energy: -135.906 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -164.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1801.703356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.703356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.703356 (E_RNA) where: Base-Base interactions energy: -1202.598 where: short stacking energy: -532.722 Base-Backbone interact. energy: -2.819 local terms energy: -596.285910 where: bonds (distance) C4'-P energy: -119.036 bonds (distance) P-C4' energy: -122.262 flat angles C4'-P-C4' energy: -126.263 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -163.528 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: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1628.231422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.231422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.231422 (E_RNA) where: Base-Base interactions energy: -1051.143 where: short stacking energy: -466.050 Base-Backbone interact. energy: 0.467 local terms energy: -577.555424 where: bonds (distance) C4'-P energy: -121.888 bonds (distance) P-C4' energy: -119.565 flat angles C4'-P-C4' energy: -123.043 flat angles P-C4'-P energy: -85.639 tors. eta vs tors. theta energy: -127.421 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1461.201158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.201158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.201158 (E_RNA) where: Base-Base interactions energy: -965.796 where: short stacking energy: -396.366 Base-Backbone interact. energy: 0.702 local terms energy: -496.107607 where: bonds (distance) C4'-P energy: -110.038 bonds (distance) P-C4' energy: -114.637 flat angles C4'-P-C4' energy: -106.881 flat angles P-C4'-P energy: -67.352 tors. eta vs tors. theta energy: -97.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1274.299843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.299843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.299843 (E_RNA) where: Base-Base interactions energy: -791.381 where: short stacking energy: -369.299 Base-Backbone interact. energy: -1.770 local terms energy: -481.148179 where: bonds (distance) C4'-P energy: -111.088 bonds (distance) P-C4' energy: -96.834 flat angles C4'-P-C4' energy: -121.009 flat angles P-C4'-P energy: -67.708 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: 8, replica: 1 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1030.018377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.018377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.018377 (E_RNA) where: Base-Base interactions energy: -621.028 where: short stacking energy: -296.330 Base-Backbone interact. energy: -2.821 local terms energy: -406.169819 where: bonds (distance) C4'-P energy: -103.212 bonds (distance) P-C4' energy: -103.627 flat angles C4'-P-C4' energy: -94.651 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -58.952 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: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -591.204650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.204650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.204650 (E_RNA) where: Base-Base interactions energy: -273.321 where: short stacking energy: -147.804 Base-Backbone interact. energy: 2.288 local terms energy: -320.171279 where: bonds (distance) C4'-P energy: -77.867 bonds (distance) P-C4' energy: -114.963 flat angles C4'-P-C4' energy: -95.206 flat angles P-C4'-P energy: -52.267 tors. eta vs tors. theta energy: 20.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -483.501944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.501944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.501944 (E_RNA) where: Base-Base interactions energy: -157.801 where: short stacking energy: -126.519 Base-Backbone interact. energy: 1.496 local terms energy: -327.196504 where: bonds (distance) C4'-P energy: -105.824 bonds (distance) P-C4' energy: -108.049 flat angles C4'-P-C4' energy: -93.484 flat angles P-C4'-P energy: -39.970 tors. eta vs tors. theta energy: 20.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2194.109212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.109212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.109212 (E_RNA) where: Base-Base interactions energy: -1527.254 where: short stacking energy: -613.836 Base-Backbone interact. energy: -1.313 local terms energy: -665.542109 where: bonds (distance) C4'-P energy: -127.117 bonds (distance) P-C4' energy: -128.534 flat angles C4'-P-C4' energy: -133.690 flat angles P-C4'-P energy: -92.157 tors. eta vs tors. theta energy: -184.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1980.241339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.241339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.241339 (E_RNA) where: Base-Base interactions energy: -1342.031 where: short stacking energy: -572.849 Base-Backbone interact. energy: -0.385 local terms energy: -637.826192 where: bonds (distance) C4'-P energy: -120.334 bonds (distance) P-C4' energy: -134.101 flat angles C4'-P-C4' energy: -126.560 flat angles P-C4'-P energy: -92.679 tors. eta vs tors. theta energy: -164.153 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: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1908.190721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.190721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.190721 (E_RNA) where: Base-Base interactions energy: -1314.147 where: short stacking energy: -558.719 Base-Backbone interact. energy: -0.898 local terms energy: -593.145600 where: bonds (distance) C4'-P energy: -113.968 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -128.397 flat angles P-C4'-P energy: -80.647 tors. eta vs tors. theta energy: -163.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1767.661015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.661015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.661015 (E_RNA) where: Base-Base interactions energy: -1161.966 where: short stacking energy: -519.760 Base-Backbone interact. energy: -2.704 local terms energy: -602.991366 where: bonds (distance) C4'-P energy: -115.267 bonds (distance) P-C4' energy: -113.418 flat angles C4'-P-C4' energy: -136.590 flat angles P-C4'-P energy: -90.303 tors. eta vs tors. theta energy: -147.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1695.638947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.638947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.638947 (E_RNA) where: Base-Base interactions energy: -1128.952 where: short stacking energy: -485.704 Base-Backbone interact. energy: -1.233 local terms energy: -565.454340 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -118.624 flat angles C4'-P-C4' energy: -122.861 flat angles P-C4'-P energy: -85.011 tors. eta vs tors. theta energy: -132.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1455.643154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.643154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.643154 (E_RNA) where: Base-Base interactions energy: -940.780 where: short stacking energy: -394.423 Base-Backbone interact. energy: 1.911 local terms energy: -516.774467 where: bonds (distance) C4'-P energy: -112.971 bonds (distance) P-C4' energy: -106.897 flat angles C4'-P-C4' energy: -124.258 flat angles P-C4'-P energy: -69.199 tors. eta vs tors. theta energy: -103.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1296.936642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.936642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.936642 (E_RNA) where: Base-Base interactions energy: -822.126 where: short stacking energy: -389.988 Base-Backbone interact. energy: 5.990 local terms energy: -480.800566 where: bonds (distance) C4'-P energy: -101.072 bonds (distance) P-C4' energy: -99.028 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -62.997 tors. eta vs tors. theta energy: -93.243 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: 1 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1013.268472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.268472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.268472 (E_RNA) where: Base-Base interactions energy: -593.713 where: short stacking energy: -300.914 Base-Backbone interact. energy: 2.865 local terms energy: -422.421156 where: bonds (distance) C4'-P energy: -111.323 bonds (distance) P-C4' energy: -96.411 flat angles C4'-P-C4' energy: -87.707 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -57.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -641.935538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.935538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.935538 (E_RNA) where: Base-Base interactions energy: -304.346 where: short stacking energy: -173.725 Base-Backbone interact. energy: 0.955 local terms energy: -338.544641 where: bonds (distance) C4'-P energy: -85.410 bonds (distance) P-C4' energy: -96.168 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -525.274551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.274551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.274551 (E_RNA) where: Base-Base interactions energy: -211.660 where: short stacking energy: -155.638 Base-Backbone interact. energy: 8.861 local terms energy: -322.475414 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -108.998 flat angles C4'-P-C4' energy: -77.482 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: 9.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2195.593805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.593805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.593805 (E_RNA) where: Base-Base interactions energy: -1528.210 where: short stacking energy: -603.229 Base-Backbone interact. energy: 2.775 local terms energy: -670.158560 where: bonds (distance) C4'-P energy: -130.039 bonds (distance) P-C4' energy: -118.932 flat angles C4'-P-C4' energy: -148.894 flat angles P-C4'-P energy: -93.997 tors. eta vs tors. theta energy: -178.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1979.974582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.974582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.974582 (E_RNA) where: Base-Base interactions energy: -1347.776 where: short stacking energy: -580.544 Base-Backbone interact. energy: -4.065 local terms energy: -628.133526 where: bonds (distance) C4'-P energy: -111.311 bonds (distance) P-C4' energy: -119.371 flat angles C4'-P-C4' energy: -133.781 flat angles P-C4'-P energy: -93.774 tors. eta vs tors. theta energy: -169.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1944.456968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.456968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.456968 (E_RNA) where: Base-Base interactions energy: -1326.030 where: short stacking energy: -544.855 Base-Backbone interact. energy: -1.186 local terms energy: -617.240614 where: bonds (distance) C4'-P energy: -110.358 bonds (distance) P-C4' energy: -130.108 flat angles C4'-P-C4' energy: -132.442 flat angles P-C4'-P energy: -81.438 tors. eta vs tors. theta energy: -162.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1787.505886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.505886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.505886 (E_RNA) where: Base-Base interactions energy: -1181.716 where: short stacking energy: -511.279 Base-Backbone interact. energy: 0.086 local terms energy: -605.876315 where: bonds (distance) C4'-P energy: -105.629 bonds (distance) P-C4' energy: -130.932 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -88.034 tors. eta vs tors. theta energy: -146.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1717.542470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.542470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.542470 (E_RNA) where: Base-Base interactions energy: -1135.793 where: short stacking energy: -494.487 Base-Backbone interact. energy: -1.581 local terms energy: -580.169421 where: bonds (distance) C4'-P energy: -114.881 bonds (distance) P-C4' energy: -111.429 flat angles C4'-P-C4' energy: -124.610 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -142.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1476.020361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.020361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.020361 (E_RNA) where: Base-Base interactions energy: -971.337 where: short stacking energy: -426.799 Base-Backbone interact. energy: -3.482 local terms energy: -501.201659 where: bonds (distance) C4'-P energy: -102.740 bonds (distance) P-C4' energy: -110.275 flat angles C4'-P-C4' energy: -111.506 flat angles P-C4'-P energy: -68.589 tors. eta vs tors. theta energy: -108.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1245.396264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.396264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.396264 (E_RNA) where: Base-Base interactions energy: -777.196 where: short stacking energy: -361.132 Base-Backbone interact. energy: 1.772 local terms energy: -469.972598 where: bonds (distance) C4'-P energy: -124.728 bonds (distance) P-C4' energy: -95.623 flat angles C4'-P-C4' energy: -103.072 flat angles P-C4'-P energy: -58.903 tors. eta vs tors. theta energy: -87.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -976.191512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.191512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.191512 (E_RNA) where: Base-Base interactions energy: -599.106 where: short stacking energy: -269.778 Base-Backbone interact. energy: 1.161 local terms energy: -378.246476 where: bonds (distance) C4'-P energy: -87.798 bonds (distance) P-C4' energy: -106.208 flat angles C4'-P-C4' energy: -90.408 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -38.997 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: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -720.981566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.981566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.981566 (E_RNA) where: Base-Base interactions energy: -347.198 where: short stacking energy: -192.661 Base-Backbone interact. energy: 0.289 local terms energy: -374.072714 where: bonds (distance) C4'-P energy: -108.733 bonds (distance) P-C4' energy: -110.385 flat angles C4'-P-C4' energy: -90.901 flat angles P-C4'-P energy: -43.119 tors. eta vs tors. theta energy: -20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -557.549583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.549583 (E_RNA) where: Base-Base interactions energy: -262.747 where: short stacking energy: -162.068 Base-Backbone interact. energy: 2.805 local terms energy: -297.607706 where: bonds (distance) C4'-P energy: -98.652 bonds (distance) P-C4' energy: -95.294 flat angles C4'-P-C4' energy: -93.262 flat angles P-C4'-P energy: -43.974 tors. eta vs tors. theta energy: 33.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2191.407612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.407612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.407612 (E_RNA) where: Base-Base interactions energy: -1521.435 where: short stacking energy: -581.618 Base-Backbone interact. energy: -4.711 local terms energy: -665.261235 where: bonds (distance) C4'-P energy: -116.153 bonds (distance) P-C4' energy: -131.649 flat angles C4'-P-C4' energy: -142.122 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -177.096 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: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2015.901791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.901791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.901791 (E_RNA) where: Base-Base interactions energy: -1372.259 where: short stacking energy: -610.209 Base-Backbone interact. energy: -1.314 local terms energy: -642.328513 where: bonds (distance) C4'-P energy: -106.809 bonds (distance) P-C4' energy: -109.078 flat angles C4'-P-C4' energy: -149.821 flat angles P-C4'-P energy: -90.103 tors. eta vs tors. theta energy: -186.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1909.270188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.270188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.270188 (E_RNA) where: Base-Base interactions energy: -1323.425 where: short stacking energy: -539.348 Base-Backbone interact. energy: -4.132 local terms energy: -581.713165 where: bonds (distance) C4'-P energy: -97.550 bonds (distance) P-C4' energy: -116.480 flat angles C4'-P-C4' energy: -131.631 flat angles P-C4'-P energy: -79.166 tors. eta vs tors. theta energy: -156.886 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: 3 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1774.661044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.661044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.661044 (E_RNA) where: Base-Base interactions energy: -1193.965 where: short stacking energy: -537.362 Base-Backbone interact. energy: -2.345 local terms energy: -578.350849 where: bonds (distance) C4'-P energy: -108.880 bonds (distance) P-C4' energy: -112.576 flat angles C4'-P-C4' energy: -117.689 flat angles P-C4'-P energy: -77.509 tors. eta vs tors. theta energy: -161.697 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: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1688.047388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.047388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.047388 (E_RNA) where: Base-Base interactions energy: -1138.159 where: short stacking energy: -482.694 Base-Backbone interact. energy: -2.924 local terms energy: -546.964560 where: bonds (distance) C4'-P energy: -107.378 bonds (distance) P-C4' energy: -97.823 flat angles C4'-P-C4' energy: -124.634 flat angles P-C4'-P energy: -75.379 tors. eta vs tors. theta energy: -141.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1472.513777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.513777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.513777 (E_RNA) where: Base-Base interactions energy: -937.185 where: short stacking energy: -416.965 Base-Backbone interact. energy: -2.664 local terms energy: -532.665326 where: bonds (distance) C4'-P energy: -111.477 bonds (distance) P-C4' energy: -116.858 flat angles C4'-P-C4' energy: -122.610 flat angles P-C4'-P energy: -85.562 tors. eta vs tors. theta energy: -96.159 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: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1210.586723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.586723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.586723 (E_RNA) where: Base-Base interactions energy: -769.368 where: short stacking energy: -366.475 Base-Backbone interact. energy: 3.477 local terms energy: -444.695166 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -103.488 flat angles C4'-P-C4' energy: -94.997 flat angles P-C4'-P energy: -61.896 tors. eta vs tors. theta energy: -91.541 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: 8, replica: 1 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1088.014687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.014687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.014687 (E_RNA) where: Base-Base interactions energy: -641.902 where: short stacking energy: -311.645 Base-Backbone interact. energy: -1.632 local terms energy: -444.480250 where: bonds (distance) C4'-P energy: -109.018 bonds (distance) P-C4' energy: -100.672 flat angles C4'-P-C4' energy: -104.608 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: -54.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -742.642211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.642211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.642211 (E_RNA) where: Base-Base interactions energy: -409.229 where: short stacking energy: -236.189 Base-Backbone interact. energy: 0.768 local terms energy: -334.181754 where: bonds (distance) C4'-P energy: -80.499 bonds (distance) P-C4' energy: -103.805 flat angles C4'-P-C4' energy: -80.328 flat angles P-C4'-P energy: -45.860 tors. eta vs tors. theta energy: -23.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -523.869137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.869137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.869137 (E_RNA) where: Base-Base interactions energy: -198.454 where: short stacking energy: -134.450 Base-Backbone interact. energy: -2.237 local terms energy: -323.177659 where: bonds (distance) C4'-P energy: -102.080 bonds (distance) P-C4' energy: -105.566 flat angles C4'-P-C4' energy: -88.737 flat angles P-C4'-P energy: -57.673 tors. eta vs tors. theta energy: 30.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2188.254742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.254742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.254742 (E_RNA) where: Base-Base interactions energy: -1523.271 where: short stacking energy: -597.287 Base-Backbone interact. energy: -0.209 local terms energy: -664.774833 where: bonds (distance) C4'-P energy: -120.474 bonds (distance) P-C4' energy: -125.939 flat angles C4'-P-C4' energy: -142.837 flat angles P-C4'-P energy: -96.953 tors. eta vs tors. theta energy: -178.571 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: 8 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2009.380452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.380452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.380452 (E_RNA) where: Base-Base interactions energy: -1369.551 where: short stacking energy: -599.308 Base-Backbone interact. energy: 1.552 local terms energy: -641.381390 where: bonds (distance) C4'-P energy: -118.465 bonds (distance) P-C4' energy: -118.607 flat angles C4'-P-C4' energy: -138.890 flat angles P-C4'-P energy: -96.290 tors. eta vs tors. theta energy: -169.129 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1906.045723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.045723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.045723 (E_RNA) where: Base-Base interactions energy: -1296.130 where: short stacking energy: -558.635 Base-Backbone interact. energy: -3.067 local terms energy: -606.848734 where: bonds (distance) C4'-P energy: -105.881 bonds (distance) P-C4' energy: -119.412 flat angles C4'-P-C4' energy: -131.098 flat angles P-C4'-P energy: -90.377 tors. eta vs tors. theta energy: -160.080 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: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1803.274871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.274871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.274871 (E_RNA) where: Base-Base interactions energy: -1219.791 where: short stacking energy: -546.293 Base-Backbone interact. energy: -0.799 local terms energy: -582.685221 where: bonds (distance) C4'-P energy: -105.192 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -143.604 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -152.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1696.172157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.172157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.172157 (E_RNA) where: Base-Base interactions energy: -1140.980 where: short stacking energy: -519.275 Base-Backbone interact. energy: -0.516 local terms energy: -554.676495 where: bonds (distance) C4'-P energy: -97.937 bonds (distance) P-C4' energy: -113.039 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -67.343 tors. eta vs tors. theta energy: -156.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1491.668096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.668096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.668096 (E_RNA) where: Base-Base interactions energy: -968.265 where: short stacking energy: -435.704 Base-Backbone interact. energy: 1.898 local terms energy: -525.301723 where: bonds (distance) C4'-P energy: -109.069 bonds (distance) P-C4' energy: -117.421 flat angles C4'-P-C4' energy: -112.266 flat angles P-C4'-P energy: -73.440 tors. eta vs tors. theta energy: -113.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1232.228977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.228977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.228977 (E_RNA) where: Base-Base interactions energy: -750.454 where: short stacking energy: -360.369 Base-Backbone interact. energy: -0.559 local terms energy: -481.216511 where: bonds (distance) C4'-P energy: -107.420 bonds (distance) P-C4' energy: -106.002 flat angles C4'-P-C4' energy: -112.553 flat angles P-C4'-P energy: -67.729 tors. eta vs tors. theta energy: -87.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1071.214399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.214399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.214399 (E_RNA) where: Base-Base interactions energy: -638.619 where: short stacking energy: -298.477 Base-Backbone interact. energy: -0.853 local terms energy: -431.741789 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -105.590 flat angles C4'-P-C4' energy: -102.124 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: -59.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -755.328730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.328730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.328730 (E_RNA) where: Base-Base interactions energy: -376.876 where: short stacking energy: -174.762 Base-Backbone interact. energy: -2.727 local terms energy: -375.725398 where: bonds (distance) C4'-P energy: -102.206 bonds (distance) P-C4' energy: -100.007 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -54.548 tors. eta vs tors. theta energy: -13.454 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: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -525.954779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.954779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.954779 (E_RNA) where: Base-Base interactions energy: -232.293 where: short stacking energy: -140.870 Base-Backbone interact. energy: 0.008 local terms energy: -293.669444 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -88.497 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -58.560 tors. eta vs tors. theta energy: 21.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2197.075297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.075297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.075297 (E_RNA) where: Base-Base interactions energy: -1547.465 where: short stacking energy: -604.497 Base-Backbone interact. energy: -1.732 local terms energy: -647.877890 where: bonds (distance) C4'-P energy: -117.702 bonds (distance) P-C4' energy: -128.508 flat angles C4'-P-C4' energy: -145.878 flat angles P-C4'-P energy: -89.847 tors. eta vs tors. theta energy: -165.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2010.328893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.328893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.328893 (E_RNA) where: Base-Base interactions energy: -1350.138 where: short stacking energy: -593.116 Base-Backbone interact. energy: 0.833 local terms energy: -661.023766 where: bonds (distance) C4'-P energy: -117.054 bonds (distance) P-C4' energy: -130.218 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -97.885 tors. eta vs tors. theta energy: -175.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1905.275413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.275413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.275413 (E_RNA) where: Base-Base interactions energy: -1284.151 where: short stacking energy: -543.704 Base-Backbone interact. energy: -1.403 local terms energy: -619.721464 where: bonds (distance) C4'-P energy: -117.630 bonds (distance) P-C4' energy: -118.190 flat angles C4'-P-C4' energy: -132.064 flat angles P-C4'-P energy: -90.709 tors. eta vs tors. theta energy: -161.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1802.943434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.943434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.943434 (E_RNA) where: Base-Base interactions energy: -1227.805 where: short stacking energy: -522.309 Base-Backbone interact. energy: 4.491 local terms energy: -579.629354 where: bonds (distance) C4'-P energy: -104.881 bonds (distance) P-C4' energy: -101.573 flat angles C4'-P-C4' energy: -134.552 flat angles P-C4'-P energy: -93.132 tors. eta vs tors. theta energy: -145.491 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: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1725.133695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.133695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.133695 (E_RNA) where: Base-Base interactions energy: -1150.189 where: short stacking energy: -513.212 Base-Backbone interact. energy: -3.932 local terms energy: -571.012666 where: bonds (distance) C4'-P energy: -120.358 bonds (distance) P-C4' energy: -115.761 flat angles C4'-P-C4' energy: -113.363 flat angles P-C4'-P energy: -79.979 tors. eta vs tors. theta energy: -141.551 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: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1528.192160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.192160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.192160 (E_RNA) where: Base-Base interactions energy: -999.110 where: short stacking energy: -419.429 Base-Backbone interact. energy: -4.062 local terms energy: -525.019559 where: bonds (distance) C4'-P energy: -100.708 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -125.403 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -118.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1208.845445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.845445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.845445 (E_RNA) where: Base-Base interactions energy: -726.182 where: short stacking energy: -340.043 Base-Backbone interact. energy: -1.337 local terms energy: -481.326387 where: bonds (distance) C4'-P energy: -112.133 bonds (distance) P-C4' energy: -99.347 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -84.423 tors. eta vs tors. theta energy: -76.576 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: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1083.661068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.661068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.661068 (E_RNA) where: Base-Base interactions energy: -640.379 where: short stacking energy: -296.099 Base-Backbone interact. energy: -0.123 local terms energy: -443.159230 where: bonds (distance) C4'-P energy: -113.815 bonds (distance) P-C4' energy: -114.191 flat angles C4'-P-C4' energy: -92.614 flat angles P-C4'-P energy: -62.519 tors. eta vs tors. theta energy: -60.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -787.127558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.127558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.127558 (E_RNA) where: Base-Base interactions energy: -404.247 where: short stacking energy: -207.953 Base-Backbone interact. energy: 0.622 local terms energy: -383.502357 where: bonds (distance) C4'-P energy: -116.785 bonds (distance) P-C4' energy: -116.918 flat angles C4'-P-C4' energy: -87.487 flat angles P-C4'-P energy: -48.822 tors. eta vs tors. theta energy: -13.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -514.400998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.400998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.400998 (E_RNA) where: Base-Base interactions energy: -206.401 where: short stacking energy: -143.661 Base-Backbone interact. energy: -0.766 local terms energy: -307.234252 where: bonds (distance) C4'-P energy: -89.864 bonds (distance) P-C4' energy: -114.971 flat angles C4'-P-C4' energy: -83.726 flat angles P-C4'-P energy: -38.054 tors. eta vs tors. theta energy: 19.380 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: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2186.913854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.913854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.913854 (E_RNA) where: Base-Base interactions energy: -1530.821 where: short stacking energy: -601.711 Base-Backbone interact. energy: -4.317 local terms energy: -651.775874 where: bonds (distance) C4'-P energy: -109.837 bonds (distance) P-C4' energy: -126.005 flat angles C4'-P-C4' energy: -137.853 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -179.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1994.854740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.854740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.854740 (E_RNA) where: Base-Base interactions energy: -1372.219 where: short stacking energy: -578.011 Base-Backbone interact. energy: -1.435 local terms energy: -621.200842 where: bonds (distance) C4'-P energy: -116.387 bonds (distance) P-C4' energy: -112.602 flat angles C4'-P-C4' energy: -135.781 flat angles P-C4'-P energy: -93.676 tors. eta vs tors. theta energy: -162.754 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: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1914.619196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.619196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.619196 (E_RNA) where: Base-Base interactions energy: -1292.036 where: short stacking energy: -537.244 Base-Backbone interact. energy: 2.160 local terms energy: -624.742559 where: bonds (distance) C4'-P energy: -114.272 bonds (distance) P-C4' energy: -129.788 flat angles C4'-P-C4' energy: -134.960 flat angles P-C4'-P energy: -84.506 tors. eta vs tors. theta energy: -161.217 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: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1828.103203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.103203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.103203 (E_RNA) where: Base-Base interactions energy: -1224.961 where: short stacking energy: -510.646 Base-Backbone interact. energy: -1.975 local terms energy: -601.167272 where: bonds (distance) C4'-P energy: -118.965 bonds (distance) P-C4' energy: -117.108 flat angles C4'-P-C4' energy: -127.858 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -149.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1652.143483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.143483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.143483 (E_RNA) where: Base-Base interactions energy: -1122.099 where: short stacking energy: -497.896 Base-Backbone interact. energy: -1.152 local terms energy: -528.893213 where: bonds (distance) C4'-P energy: -104.646 bonds (distance) P-C4' energy: -108.343 flat angles C4'-P-C4' energy: -121.440 flat angles P-C4'-P energy: -47.974 tors. eta vs tors. theta energy: -146.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1597.775601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.775601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.775601 (E_RNA) where: Base-Base interactions energy: -1079.361 where: short stacking energy: -444.758 Base-Backbone interact. energy: -1.519 local terms energy: -516.896093 where: bonds (distance) C4'-P energy: -130.959 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -104.538 flat angles P-C4'-P energy: -73.614 tors. eta vs tors. theta energy: -115.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1225.919526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.919526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.919526 (E_RNA) where: Base-Base interactions energy: -762.069 where: short stacking energy: -369.026 Base-Backbone interact. energy: -1.981 local terms energy: -461.869879 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -110.381 flat angles C4'-P-C4' energy: -108.582 flat angles P-C4'-P energy: -55.306 tors. eta vs tors. theta energy: -79.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1079.256596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.256596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.256596 (E_RNA) where: Base-Base interactions energy: -637.854 where: short stacking energy: -303.057 Base-Backbone interact. energy: 1.077 local terms energy: -442.479517 where: bonds (distance) C4'-P energy: -110.538 bonds (distance) P-C4' energy: -99.752 flat angles C4'-P-C4' energy: -105.230 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -59.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -831.904504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.904504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.904504 (E_RNA) where: Base-Base interactions energy: -473.819 where: short stacking energy: -226.237 Base-Backbone interact. energy: 1.937 local terms energy: -360.022022 where: bonds (distance) C4'-P energy: -100.320 bonds (distance) P-C4' energy: -88.722 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -46.245 tors. eta vs tors. theta energy: -26.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -564.713395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.713395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.713395 (E_RNA) where: Base-Base interactions energy: -241.776 where: short stacking energy: -156.933 Base-Backbone interact. energy: -1.089 local terms energy: -321.848409 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -92.557 flat angles P-C4'-P energy: -45.079 tors. eta vs tors. theta energy: 9.781 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: 1, replica: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2196.864576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.864576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.864576 (E_RNA) where: Base-Base interactions energy: -1541.953 where: short stacking energy: -594.744 Base-Backbone interact. energy: 0.370 local terms energy: -655.280978 where: bonds (distance) C4'-P energy: -118.573 bonds (distance) P-C4' energy: -114.678 flat angles C4'-P-C4' energy: -126.035 flat angles P-C4'-P energy: -112.206 tors. eta vs tors. theta energy: -183.789 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: 8 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1976.464561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.464561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.464561 (E_RNA) where: Base-Base interactions energy: -1330.719 where: short stacking energy: -585.960 Base-Backbone interact. energy: -0.032 local terms energy: -645.713089 where: bonds (distance) C4'-P energy: -121.012 bonds (distance) P-C4' energy: -124.602 flat angles C4'-P-C4' energy: -128.033 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -178.541 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: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1904.101040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.101040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.101040 (E_RNA) where: Base-Base interactions energy: -1287.816 where: short stacking energy: -558.466 Base-Backbone interact. energy: -2.475 local terms energy: -613.809912 where: bonds (distance) C4'-P energy: -113.440 bonds (distance) P-C4' energy: -111.142 flat angles C4'-P-C4' energy: -134.190 flat angles P-C4'-P energy: -97.742 tors. eta vs tors. theta energy: -157.295 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: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1853.549297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.549297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.549297 (E_RNA) where: Base-Base interactions energy: -1254.459 where: short stacking energy: -520.631 Base-Backbone interact. energy: 0.340 local terms energy: -599.430071 where: bonds (distance) C4'-P energy: -105.023 bonds (distance) P-C4' energy: -105.394 flat angles C4'-P-C4' energy: -136.677 flat angles P-C4'-P energy: -92.527 tors. eta vs tors. theta energy: -159.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1702.837196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.837196 (E_RNA) where: Base-Base interactions energy: -1135.790 where: short stacking energy: -499.181 Base-Backbone interact. energy: -0.530 local terms energy: -566.517456 where: bonds (distance) C4'-P energy: -104.168 bonds (distance) P-C4' energy: -110.542 flat angles C4'-P-C4' energy: -120.031 flat angles P-C4'-P energy: -82.802 tors. eta vs tors. theta energy: -148.974 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: 2 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1618.516573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.516573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.516573 (E_RNA) where: Base-Base interactions energy: -1082.352 where: short stacking energy: -440.925 Base-Backbone interact. energy: -3.120 local terms energy: -533.044937 where: bonds (distance) C4'-P energy: -103.291 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -118.290 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -121.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1249.744004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.744004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.744004 (E_RNA) where: Base-Base interactions energy: -782.998 where: short stacking energy: -362.921 Base-Backbone interact. energy: 2.129 local terms energy: -468.874823 where: bonds (distance) C4'-P energy: -95.374 bonds (distance) P-C4' energy: -110.293 flat angles C4'-P-C4' energy: -115.700 flat angles P-C4'-P energy: -72.891 tors. eta vs tors. theta energy: -74.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1170.938528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.938528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.938528 (E_RNA) where: Base-Base interactions energy: -702.669 where: short stacking energy: -325.438 Base-Backbone interact. energy: 0.683 local terms energy: -468.952373 where: bonds (distance) C4'-P energy: -105.248 bonds (distance) P-C4' energy: -93.475 flat angles C4'-P-C4' energy: -119.661 flat angles P-C4'-P energy: -64.164 tors. eta vs tors. theta energy: -86.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -934.767751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.767751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.767751 (E_RNA) where: Base-Base interactions energy: -548.416 where: short stacking energy: -246.508 Base-Backbone interact. energy: 1.036 local terms energy: -387.387031 where: bonds (distance) C4'-P energy: -105.861 bonds (distance) P-C4' energy: -111.464 flat angles C4'-P-C4' energy: -106.958 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: -15.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -592.818542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.818542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.818542 (E_RNA) where: Base-Base interactions energy: -283.177 where: short stacking energy: -161.777 Base-Backbone interact. energy: -2.569 local terms energy: -307.072491 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -87.601 flat angles C4'-P-C4' energy: -93.724 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: 11.553 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: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2196.555012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.555012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.555012 (E_RNA) where: Base-Base interactions energy: -1528.292 where: short stacking energy: -603.904 Base-Backbone interact. energy: -4.919 local terms energy: -663.343834 where: bonds (distance) C4'-P energy: -115.056 bonds (distance) P-C4' energy: -131.779 flat angles C4'-P-C4' energy: -131.861 flat angles P-C4'-P energy: -94.743 tors. eta vs tors. theta energy: -189.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2002.635546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.635546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.635546 (E_RNA) where: Base-Base interactions energy: -1355.106 where: short stacking energy: -549.422 Base-Backbone interact. energy: -2.218 local terms energy: -645.311406 where: bonds (distance) C4'-P energy: -119.010 bonds (distance) P-C4' energy: -122.433 flat angles C4'-P-C4' energy: -126.758 flat angles P-C4'-P energy: -97.833 tors. eta vs tors. theta energy: -179.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1962.703375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.703375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.703375 (E_RNA) where: Base-Base interactions energy: -1335.240 where: short stacking energy: -554.615 Base-Backbone interact. energy: -0.438 local terms energy: -627.025772 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -112.489 flat angles C4'-P-C4' energy: -145.063 flat angles P-C4'-P energy: -87.119 tors. eta vs tors. theta energy: -163.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1836.412944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.412944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.412944 (E_RNA) where: Base-Base interactions energy: -1242.226 where: short stacking energy: -547.809 Base-Backbone interact. energy: -0.650 local terms energy: -593.537051 where: bonds (distance) C4'-P energy: -112.677 bonds (distance) P-C4' energy: -98.536 flat angles C4'-P-C4' energy: -121.045 flat angles P-C4'-P energy: -97.857 tors. eta vs tors. theta energy: -163.424 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1763.734224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.734224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.734224 (E_RNA) where: Base-Base interactions energy: -1166.537 where: short stacking energy: -488.126 Base-Backbone interact. energy: -0.871 local terms energy: -596.326133 where: bonds (distance) C4'-P energy: -110.069 bonds (distance) P-C4' energy: -107.796 flat angles C4'-P-C4' energy: -128.092 flat angles P-C4'-P energy: -98.713 tors. eta vs tors. theta energy: -151.657 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: 2 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1610.652319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.652319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.652319 (E_RNA) where: Base-Base interactions energy: -1067.933 where: short stacking energy: -423.836 Base-Backbone interact. energy: 2.196 local terms energy: -544.915275 where: bonds (distance) C4'-P energy: -106.378 bonds (distance) P-C4' energy: -114.245 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -122.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1220.677372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.677372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.677372 (E_RNA) where: Base-Base interactions energy: -744.588 where: short stacking energy: -355.506 Base-Backbone interact. energy: -1.938 local terms energy: -474.151649 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -106.022 flat angles C4'-P-C4' energy: -109.683 flat angles P-C4'-P energy: -84.278 tors. eta vs tors. theta energy: -78.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1170.007748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.007748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.007748 (E_RNA) where: Base-Base interactions energy: -720.665 where: short stacking energy: -331.642 Base-Backbone interact. energy: -0.844 local terms energy: -448.499409 where: bonds (distance) C4'-P energy: -104.668 bonds (distance) P-C4' energy: -108.843 flat angles C4'-P-C4' energy: -111.428 flat angles P-C4'-P energy: -52.369 tors. eta vs tors. theta energy: -71.191 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: 5 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -971.928952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.928952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.928952 (E_RNA) where: Base-Base interactions energy: -570.162 where: short stacking energy: -272.122 Base-Backbone interact. energy: 0.066 local terms energy: -401.833605 where: bonds (distance) C4'-P energy: -97.320 bonds (distance) P-C4' energy: -116.120 flat angles C4'-P-C4' energy: -87.605 flat angles P-C4'-P energy: -63.065 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: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -603.615246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.615246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.615246 (E_RNA) where: Base-Base interactions energy: -302.035 where: short stacking energy: -175.490 Base-Backbone interact. energy: -1.744 local terms energy: -299.835581 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -92.099 flat angles C4'-P-C4' energy: -77.641 flat angles P-C4'-P energy: -51.025 tors. eta vs tors. theta energy: 6.002 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: 10 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2215.674022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.674022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.674022 (E_RNA) where: Base-Base interactions energy: -1552.812 where: short stacking energy: -589.776 Base-Backbone interact. energy: -2.260 local terms energy: -660.601466 where: bonds (distance) C4'-P energy: -116.125 bonds (distance) P-C4' energy: -132.688 flat angles C4'-P-C4' energy: -126.567 flat angles P-C4'-P energy: -97.420 tors. eta vs tors. theta energy: -187.802 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2007.822761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.822761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.822761 (E_RNA) where: Base-Base interactions energy: -1370.176 where: short stacking energy: -585.207 Base-Backbone interact. energy: -0.618 local terms energy: -637.028692 where: bonds (distance) C4'-P energy: -109.913 bonds (distance) P-C4' energy: -116.811 flat angles C4'-P-C4' energy: -140.622 flat angles P-C4'-P energy: -86.201 tors. eta vs tors. theta energy: -183.482 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: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1974.703790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.703790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.703790 (E_RNA) where: Base-Base interactions energy: -1334.798 where: short stacking energy: -581.938 Base-Backbone interact. energy: 0.076 local terms energy: -639.981629 where: bonds (distance) C4'-P energy: -132.522 bonds (distance) P-C4' energy: -106.838 flat angles C4'-P-C4' energy: -137.243 flat angles P-C4'-P energy: -93.477 tors. eta vs tors. theta energy: -169.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1845.765891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.765891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.765891 (E_RNA) where: Base-Base interactions energy: -1254.425 where: short stacking energy: -536.359 Base-Backbone interact. energy: 2.721 local terms energy: -594.061890 where: bonds (distance) C4'-P energy: -108.178 bonds (distance) P-C4' energy: -112.597 flat angles C4'-P-C4' energy: -133.894 flat angles P-C4'-P energy: -82.255 tors. eta vs tors. theta energy: -157.138 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: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1743.431493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.431493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.431493 (E_RNA) where: Base-Base interactions energy: -1159.519 where: short stacking energy: -500.473 Base-Backbone interact. energy: -1.190 local terms energy: -582.722598 where: bonds (distance) C4'-P energy: -105.364 bonds (distance) P-C4' energy: -112.020 flat angles C4'-P-C4' energy: -117.239 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -162.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1622.839925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.839925 (E_RNA) where: Base-Base interactions energy: -1098.183 where: short stacking energy: -450.208 Base-Backbone interact. energy: -1.701 local terms energy: -522.955395 where: bonds (distance) C4'-P energy: -107.300 bonds (distance) P-C4' energy: -112.841 flat angles C4'-P-C4' energy: -116.386 flat angles P-C4'-P energy: -61.120 tors. eta vs tors. theta energy: -125.309 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: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1226.857295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.857295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.857295 (E_RNA) where: Base-Base interactions energy: -732.798 where: short stacking energy: -377.154 Base-Backbone interact. energy: -3.074 local terms energy: -490.985764 where: bonds (distance) C4'-P energy: -117.350 bonds (distance) P-C4' energy: -96.156 flat angles C4'-P-C4' energy: -111.864 flat angles P-C4'-P energy: -68.672 tors. eta vs tors. theta energy: -96.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1178.013167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.013167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.013167 (E_RNA) where: Base-Base interactions energy: -746.847 where: short stacking energy: -330.036 Base-Backbone interact. energy: 0.851 local terms energy: -432.017506 where: bonds (distance) C4'-P energy: -107.433 bonds (distance) P-C4' energy: -96.350 flat angles C4'-P-C4' energy: -94.639 flat angles P-C4'-P energy: -68.425 tors. eta vs tors. theta energy: -65.170 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: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1014.520701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.520701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.520701 (E_RNA) where: Base-Base interactions energy: -620.486 where: short stacking energy: -281.519 Base-Backbone interact. energy: 1.798 local terms energy: -395.832467 where: bonds (distance) C4'-P energy: -89.099 bonds (distance) P-C4' energy: -120.562 flat angles C4'-P-C4' energy: -99.297 flat angles P-C4'-P energy: -46.355 tors. eta vs tors. theta energy: -40.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -588.122266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.122266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.122266 (E_RNA) where: Base-Base interactions energy: -270.637 where: short stacking energy: -165.891 Base-Backbone interact. energy: 2.717 local terms energy: -320.201405 where: bonds (distance) C4'-P energy: -110.262 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -77.658 flat angles P-C4'-P energy: -31.415 tors. eta vs tors. theta energy: -4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2190.103463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.103463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.103463 (E_RNA) where: Base-Base interactions energy: -1565.579 where: short stacking energy: -612.926 Base-Backbone interact. energy: -2.296 local terms energy: -622.229120 where: bonds (distance) C4'-P energy: -105.475 bonds (distance) P-C4' energy: -120.704 flat angles C4'-P-C4' energy: -133.175 flat angles P-C4'-P energy: -91.604 tors. eta vs tors. theta energy: -171.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2019.821591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.821591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.821591 (E_RNA) where: Base-Base interactions energy: -1372.000 where: short stacking energy: -585.198 Base-Backbone interact. energy: -2.428 local terms energy: -645.393380 where: bonds (distance) C4'-P energy: -121.271 bonds (distance) P-C4' energy: -114.890 flat angles C4'-P-C4' energy: -135.605 flat angles P-C4'-P energy: -93.660 tors. eta vs tors. theta energy: -179.968 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1938.709687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.709687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.709687 (E_RNA) where: Base-Base interactions energy: -1304.722 where: short stacking energy: -572.923 Base-Backbone interact. energy: -2.283 local terms energy: -631.704214 where: bonds (distance) C4'-P energy: -124.529 bonds (distance) P-C4' energy: -106.904 flat angles C4'-P-C4' energy: -143.521 flat angles P-C4'-P energy: -82.303 tors. eta vs tors. theta energy: -174.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1894.927219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.927219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.927219 (E_RNA) where: Base-Base interactions energy: -1298.214 where: short stacking energy: -543.367 Base-Backbone interact. energy: -1.266 local terms energy: -595.446734 where: bonds (distance) C4'-P energy: -123.882 bonds (distance) P-C4' energy: -115.888 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -64.706 tors. eta vs tors. theta energy: -161.058 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1708.460938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.460938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.460938 (E_RNA) where: Base-Base interactions energy: -1151.713 where: short stacking energy: -494.005 Base-Backbone interact. energy: -3.380 local terms energy: -553.367477 where: bonds (distance) C4'-P energy: -113.293 bonds (distance) P-C4' energy: -105.532 flat angles C4'-P-C4' energy: -109.964 flat angles P-C4'-P energy: -76.416 tors. eta vs tors. theta energy: -148.162 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: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1676.258662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.258662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.258662 (E_RNA) where: Base-Base interactions energy: -1164.772 where: short stacking energy: -481.566 Base-Backbone interact. energy: -2.970 local terms energy: -508.516991 where: bonds (distance) C4'-P energy: -97.531 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -109.557 flat angles P-C4'-P energy: -72.334 tors. eta vs tors. theta energy: -135.104 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: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1213.013921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.013921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.013921 (E_RNA) where: Base-Base interactions energy: -765.479 where: short stacking energy: -349.966 Base-Backbone interact. energy: 2.453 local terms energy: -449.988753 where: bonds (distance) C4'-P energy: -88.877 bonds (distance) P-C4' energy: -106.334 flat angles C4'-P-C4' energy: -114.582 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -87.255 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: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1070.712328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.712328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.712328 (E_RNA) where: Base-Base interactions energy: -641.718 where: short stacking energy: -307.180 Base-Backbone interact. energy: -3.241 local terms energy: -425.753799 where: bonds (distance) C4'-P energy: -111.110 bonds (distance) P-C4' energy: -91.331 flat angles C4'-P-C4' energy: -103.403 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -51.104 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: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1031.513144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.513144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.513144 (E_RNA) where: Base-Base interactions energy: -621.955 where: short stacking energy: -309.168 Base-Backbone interact. energy: 2.907 local terms energy: -412.465205 where: bonds (distance) C4'-P energy: -94.942 bonds (distance) P-C4' energy: -103.878 flat angles C4'-P-C4' energy: -105.022 flat angles P-C4'-P energy: -47.848 tors. eta vs tors. theta energy: -60.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -629.453985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.453985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.453985 (E_RNA) where: Base-Base interactions energy: -318.777 where: short stacking energy: -157.043 Base-Backbone interact. energy: 4.775 local terms energy: -315.451938 where: bonds (distance) C4'-P energy: -80.155 bonds (distance) P-C4' energy: -96.677 flat angles C4'-P-C4' energy: -82.026 flat angles P-C4'-P energy: -58.663 tors. eta vs tors. theta energy: 2.070 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: 10 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2175.798598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.798598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.798598 (E_RNA) where: Base-Base interactions energy: -1540.408 where: short stacking energy: -601.893 Base-Backbone interact. energy: -1.556 local terms energy: -633.834388 where: bonds (distance) C4'-P energy: -111.147 bonds (distance) P-C4' energy: -135.719 flat angles C4'-P-C4' energy: -124.605 flat angles P-C4'-P energy: -97.373 tors. eta vs tors. theta energy: -164.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2024.004235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.004235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.004235 (E_RNA) where: Base-Base interactions energy: -1372.908 where: short stacking energy: -594.290 Base-Backbone interact. energy: 0.731 local terms energy: -651.826878 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -130.227 flat angles C4'-P-C4' energy: -145.912 flat angles P-C4'-P energy: -85.782 tors. eta vs tors. theta energy: -173.358 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: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1906.001036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.001036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.001036 (E_RNA) where: Base-Base interactions energy: -1278.875 where: short stacking energy: -536.237 Base-Backbone interact. energy: -0.042 local terms energy: -627.084126 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -123.751 flat angles C4'-P-C4' energy: -136.367 flat angles P-C4'-P energy: -92.953 tors. eta vs tors. theta energy: -163.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2017.351870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.351870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.351870 (E_RNA) where: Base-Base interactions energy: -1381.190 where: short stacking energy: -587.960 Base-Backbone interact. energy: -0.810 local terms energy: -635.352029 where: bonds (distance) C4'-P energy: -113.378 bonds (distance) P-C4' energy: -122.642 flat angles C4'-P-C4' energy: -136.773 flat angles P-C4'-P energy: -93.349 tors. eta vs tors. theta energy: -169.210 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1676.047696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.047696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.047696 (E_RNA) where: Base-Base interactions energy: -1138.921 where: short stacking energy: -455.828 Base-Backbone interact. energy: -4.265 local terms energy: -532.862264 where: bonds (distance) C4'-P energy: -109.756 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -120.600 flat angles P-C4'-P energy: -67.350 tors. eta vs tors. theta energy: -116.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1653.998024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.998024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.998024 (E_RNA) where: Base-Base interactions energy: -1091.304 where: short stacking energy: -466.231 Base-Backbone interact. energy: 4.309 local terms energy: -567.003173 where: bonds (distance) C4'-P energy: -109.093 bonds (distance) P-C4' energy: -135.124 flat angles C4'-P-C4' energy: -124.473 flat angles P-C4'-P energy: -65.060 tors. eta vs tors. theta energy: -133.254 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: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1169.439062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.439062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.439062 (E_RNA) where: Base-Base interactions energy: -727.691 where: short stacking energy: -326.571 Base-Backbone interact. energy: -2.851 local terms energy: -438.896710 where: bonds (distance) C4'-P energy: -97.562 bonds (distance) P-C4' energy: -107.857 flat angles C4'-P-C4' energy: -112.996 flat angles P-C4'-P energy: -66.031 tors. eta vs tors. theta energy: -54.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1089.840524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.840524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.840524 (E_RNA) where: Base-Base interactions energy: -652.964 where: short stacking energy: -302.619 Base-Backbone interact. energy: -0.691 local terms energy: -436.185891 where: bonds (distance) C4'-P energy: -107.399 bonds (distance) P-C4' energy: -97.062 flat angles C4'-P-C4' energy: -108.764 flat angles P-C4'-P energy: -73.879 tors. eta vs tors. theta energy: -49.082 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: 1 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1024.926377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.926377 (E_RNA) where: Base-Base interactions energy: -618.518 where: short stacking energy: -298.824 Base-Backbone interact. energy: 0.565 local terms energy: -406.973438 where: bonds (distance) C4'-P energy: -88.557 bonds (distance) P-C4' energy: -101.393 flat angles C4'-P-C4' energy: -96.888 flat angles P-C4'-P energy: -67.926 tors. eta vs tors. theta energy: -52.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -636.539381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.539381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.539381 (E_RNA) where: Base-Base interactions energy: -302.781 where: short stacking energy: -156.891 Base-Backbone interact. energy: -1.369 local terms energy: -332.390096 where: bonds (distance) C4'-P energy: -104.309 bonds (distance) P-C4' energy: -108.109 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -34.363 tors. eta vs tors. theta energy: 9.143 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: 10 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2199.044780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.044780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.044780 (E_RNA) where: Base-Base interactions energy: -1539.061 where: short stacking energy: -617.024 Base-Backbone interact. energy: -3.112 local terms energy: -656.871691 where: bonds (distance) C4'-P energy: -123.574 bonds (distance) P-C4' energy: -122.882 flat angles C4'-P-C4' energy: -135.417 flat angles P-C4'-P energy: -94.737 tors. eta vs tors. theta energy: -180.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2035.055971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.055971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.055971 (E_RNA) where: Base-Base interactions energy: -1394.367 where: short stacking energy: -610.279 Base-Backbone interact. energy: -2.515 local terms energy: -638.173620 where: bonds (distance) C4'-P energy: -102.046 bonds (distance) P-C4' energy: -129.086 flat angles C4'-P-C4' energy: -135.423 flat angles P-C4'-P energy: -85.182 tors. eta vs tors. theta energy: -186.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1905.356363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.356363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.356363 (E_RNA) where: Base-Base interactions energy: -1300.216 where: short stacking energy: -526.603 Base-Backbone interact. energy: -2.065 local terms energy: -603.075657 where: bonds (distance) C4'-P energy: -119.247 bonds (distance) P-C4' energy: -124.515 flat angles C4'-P-C4' energy: -120.632 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -159.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1898.532230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.532230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.532230 (E_RNA) where: Base-Base interactions energy: -1308.812 where: short stacking energy: -539.092 Base-Backbone interact. energy: -3.106 local terms energy: -586.614163 where: bonds (distance) C4'-P energy: -113.061 bonds (distance) P-C4' energy: -110.117 flat angles C4'-P-C4' energy: -125.968 flat angles P-C4'-P energy: -95.366 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1683.048583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.048583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.048583 (E_RNA) where: Base-Base interactions energy: -1172.136 where: short stacking energy: -481.139 Base-Backbone interact. energy: -3.578 local terms energy: -507.334815 where: bonds (distance) C4'-P energy: -102.394 bonds (distance) P-C4' energy: -110.638 flat angles C4'-P-C4' energy: -118.751 flat angles P-C4'-P energy: -60.757 tors. eta vs tors. theta energy: -114.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1662.710697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.710697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.710697 (E_RNA) where: Base-Base interactions energy: -1135.092 where: short stacking energy: -495.032 Base-Backbone interact. energy: -2.282 local terms energy: -525.336564 where: bonds (distance) C4'-P energy: -86.931 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -123.394 flat angles P-C4'-P energy: -68.145 tors. eta vs tors. theta energy: -146.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1188.689840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.689840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.689840 (E_RNA) where: Base-Base interactions energy: -718.274 where: short stacking energy: -350.630 Base-Backbone interact. energy: 2.038 local terms energy: -472.453906 where: bonds (distance) C4'-P energy: -102.162 bonds (distance) P-C4' energy: -116.640 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -78.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1115.117232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.117232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.117232 (E_RNA) where: Base-Base interactions energy: -677.177 where: short stacking energy: -315.520 Base-Backbone interact. energy: -1.785 local terms energy: -436.155466 where: bonds (distance) C4'-P energy: -100.311 bonds (distance) P-C4' energy: -118.048 flat angles C4'-P-C4' energy: -90.687 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -45.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -992.748442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.748442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.748442 (E_RNA) where: Base-Base interactions energy: -574.771 where: short stacking energy: -255.806 Base-Backbone interact. energy: -0.564 local terms energy: -417.413320 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -105.208 flat angles C4'-P-C4' energy: -103.467 flat angles P-C4'-P energy: -65.932 tors. eta vs tors. theta energy: -46.144 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: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -604.850271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.850271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.850271 (E_RNA) where: Base-Base interactions energy: -292.520 where: short stacking energy: -159.097 Base-Backbone interact. energy: -1.927 local terms energy: -310.402448 where: bonds (distance) C4'-P energy: -87.506 bonds (distance) P-C4' energy: -93.251 flat angles C4'-P-C4' energy: -80.065 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: 1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2177.494428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.494428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.494428 (E_RNA) where: Base-Base interactions energy: -1511.971 where: short stacking energy: -582.877 Base-Backbone interact. energy: -3.791 local terms energy: -661.732721 where: bonds (distance) C4'-P energy: -116.603 bonds (distance) P-C4' energy: -132.124 flat angles C4'-P-C4' energy: -141.981 flat angles P-C4'-P energy: -99.705 tors. eta vs tors. theta energy: -171.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2006.149242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.149242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.149242 (E_RNA) where: Base-Base interactions energy: -1368.240 where: short stacking energy: -586.202 Base-Backbone interact. energy: -0.199 local terms energy: -637.710313 where: bonds (distance) C4'-P energy: -125.128 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -127.645 flat angles P-C4'-P energy: -87.387 tors. eta vs tors. theta energy: -177.225 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: 88 Temperature: 1.000000 Total energy: -1918.936483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.936483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.936483 (E_RNA) where: Base-Base interactions energy: -1311.802 where: short stacking energy: -561.053 Base-Backbone interact. energy: -1.889 local terms energy: -605.245385 where: bonds (distance) C4'-P energy: -107.290 bonds (distance) P-C4' energy: -114.915 flat angles C4'-P-C4' energy: -136.356 flat angles P-C4'-P energy: -87.633 tors. eta vs tors. theta energy: -159.052 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: 88 Temperature: 1.050000 Total energy: -1840.934533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.934533 (E_RNA) where: Base-Base interactions energy: -1258.077 where: short stacking energy: -531.709 Base-Backbone interact. energy: -1.264 local terms energy: -581.593302 where: bonds (distance) C4'-P energy: -113.365 bonds (distance) P-C4' energy: -108.709 flat angles C4'-P-C4' energy: -127.632 flat angles P-C4'-P energy: -76.789 tors. eta vs tors. theta energy: -155.099 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: 5, replica: 3 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1718.019091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.019091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.019091 (E_RNA) where: Base-Base interactions energy: -1151.708 where: short stacking energy: -509.349 Base-Backbone interact. energy: -0.694 local terms energy: -565.616870 where: bonds (distance) C4'-P energy: -113.506 bonds (distance) P-C4' energy: -120.925 flat angles C4'-P-C4' energy: -110.224 flat angles P-C4'-P energy: -70.397 tors. eta vs tors. theta energy: -150.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1626.595462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.595462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.595462 (E_RNA) where: Base-Base interactions energy: -1122.782 where: short stacking energy: -471.039 Base-Backbone interact. energy: -1.860 local terms energy: -501.953026 where: bonds (distance) C4'-P energy: -92.600 bonds (distance) P-C4' energy: -112.864 flat angles C4'-P-C4' energy: -110.515 flat angles P-C4'-P energy: -62.226 tors. eta vs tors. theta energy: -123.749 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: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1186.971560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.971560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.971560 (E_RNA) where: Base-Base interactions energy: -735.441 where: short stacking energy: -341.527 Base-Backbone interact. energy: 0.668 local terms energy: -452.198530 where: bonds (distance) C4'-P energy: -78.590 bonds (distance) P-C4' energy: -109.214 flat angles C4'-P-C4' energy: -117.590 flat angles P-C4'-P energy: -64.172 tors. eta vs tors. theta energy: -82.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1117.994391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.994391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.994391 (E_RNA) where: Base-Base interactions energy: -688.972 where: short stacking energy: -342.783 Base-Backbone interact. energy: -0.774 local terms energy: -428.248420 where: bonds (distance) C4'-P energy: -88.392 bonds (distance) P-C4' energy: -99.988 flat angles C4'-P-C4' energy: -126.010 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -67.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -996.435212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.435212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.435212 (E_RNA) where: Base-Base interactions energy: -583.306 where: short stacking energy: -260.656 Base-Backbone interact. energy: -1.463 local terms energy: -411.666445 where: bonds (distance) C4'-P energy: -94.974 bonds (distance) P-C4' energy: -90.666 flat angles C4'-P-C4' energy: -104.962 flat angles P-C4'-P energy: -51.742 tors. eta vs tors. theta energy: -69.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -548.392280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.392280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.392280 (E_RNA) where: Base-Base interactions energy: -260.740 where: short stacking energy: -143.999 Base-Backbone interact. energy: 6.350 local terms energy: -294.003167 where: bonds (distance) C4'-P energy: -99.299 bonds (distance) P-C4' energy: -108.040 flat angles C4'-P-C4' energy: -71.286 flat angles P-C4'-P energy: -36.886 tors. eta vs tors. theta energy: 21.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2185.733595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.733595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.733595 (E_RNA) where: Base-Base interactions energy: -1506.195 where: short stacking energy: -603.788 Base-Backbone interact. energy: -4.184 local terms energy: -675.355107 where: bonds (distance) C4'-P energy: -127.816 bonds (distance) P-C4' energy: -121.094 flat angles C4'-P-C4' energy: -141.194 flat angles P-C4'-P energy: -98.909 tors. eta vs tors. theta energy: -186.341 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: 8 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1991.671274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.671274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.671274 (E_RNA) where: Base-Base interactions energy: -1338.665 where: short stacking energy: -567.468 Base-Backbone interact. energy: -0.999 local terms energy: -652.007438 where: bonds (distance) C4'-P energy: -118.692 bonds (distance) P-C4' energy: -134.372 flat angles C4'-P-C4' energy: -131.011 flat angles P-C4'-P energy: -103.676 tors. eta vs tors. theta energy: -164.257 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: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1979.294000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.294000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.294000 (E_RNA) where: Base-Base interactions energy: -1370.631 where: short stacking energy: -569.953 Base-Backbone interact. energy: 0.557 local terms energy: -609.220835 where: bonds (distance) C4'-P energy: -115.536 bonds (distance) P-C4' energy: -117.614 flat angles C4'-P-C4' energy: -130.665 flat angles P-C4'-P energy: -86.842 tors. eta vs tors. theta energy: -158.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1859.795807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.795807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.795807 (E_RNA) where: Base-Base interactions energy: -1282.574 where: short stacking energy: -538.027 Base-Backbone interact. energy: 2.066 local terms energy: -579.287685 where: bonds (distance) C4'-P energy: -109.211 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -115.004 flat angles P-C4'-P energy: -80.290 tors. eta vs tors. theta energy: -164.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1698.028226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.028226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.028226 (E_RNA) where: Base-Base interactions energy: -1139.161 where: short stacking energy: -468.713 Base-Backbone interact. energy: -0.452 local terms energy: -558.415048 where: bonds (distance) C4'-P energy: -92.538 bonds (distance) P-C4' energy: -111.218 flat angles C4'-P-C4' energy: -128.240 flat angles P-C4'-P energy: -81.781 tors. eta vs tors. theta energy: -144.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1623.592455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.592455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.592455 (E_RNA) where: Base-Base interactions energy: -1079.178 where: short stacking energy: -456.524 Base-Backbone interact. energy: -0.143 local terms energy: -544.271450 where: bonds (distance) C4'-P energy: -123.438 bonds (distance) P-C4' energy: -101.015 flat angles C4'-P-C4' energy: -108.902 flat angles P-C4'-P energy: -81.089 tors. eta vs tors. theta energy: -129.829 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: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1173.293372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.293372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.293372 (E_RNA) where: Base-Base interactions energy: -755.196 where: short stacking energy: -366.960 Base-Backbone interact. energy: -1.326 local terms energy: -416.771357 where: bonds (distance) C4'-P energy: -83.837 bonds (distance) P-C4' energy: -103.165 flat angles C4'-P-C4' energy: -98.791 flat angles P-C4'-P energy: -61.848 tors. eta vs tors. theta energy: -69.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1097.681853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.681853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.681853 (E_RNA) where: Base-Base interactions energy: -676.910 where: short stacking energy: -316.418 Base-Backbone interact. energy: 5.432 local terms energy: -426.204256 where: bonds (distance) C4'-P energy: -98.906 bonds (distance) P-C4' energy: -113.697 flat angles C4'-P-C4' energy: -96.114 flat angles P-C4'-P energy: -49.393 tors. eta vs tors. theta energy: -68.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1078.685296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.685296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.685296 (E_RNA) where: Base-Base interactions energy: -666.619 where: short stacking energy: -304.612 Base-Backbone interact. energy: -3.125 local terms energy: -408.940783 where: bonds (distance) C4'-P energy: -103.920 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -48.857 tors. eta vs tors. theta energy: -52.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -622.764024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.764024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.764024 (E_RNA) where: Base-Base interactions energy: -286.897 where: short stacking energy: -167.585 Base-Backbone interact. energy: 2.393 local terms energy: -338.260689 where: bonds (distance) C4'-P energy: -91.644 bonds (distance) P-C4' energy: -95.655 flat angles C4'-P-C4' energy: -97.778 flat angles P-C4'-P energy: -55.864 tors. eta vs tors. theta energy: 2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2154.406407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.406407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.406407 (E_RNA) where: Base-Base interactions energy: -1504.876 where: short stacking energy: -585.062 Base-Backbone interact. energy: -3.288 local terms energy: -646.242503 where: bonds (distance) C4'-P energy: -123.891 bonds (distance) P-C4' energy: -126.587 flat angles C4'-P-C4' energy: -137.837 flat angles P-C4'-P energy: -89.531 tors. eta vs tors. theta energy: -168.397 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: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2014.391756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.391756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.391756 (E_RNA) where: Base-Base interactions energy: -1394.359 where: short stacking energy: -609.285 Base-Backbone interact. energy: -1.202 local terms energy: -618.831556 where: bonds (distance) C4'-P energy: -98.687 bonds (distance) P-C4' energy: -102.832 flat angles C4'-P-C4' energy: -141.663 flat angles P-C4'-P energy: -93.901 tors. eta vs tors. theta energy: -181.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2019.341654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.341654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.341654 (E_RNA) where: Base-Base interactions energy: -1390.039 where: short stacking energy: -595.079 Base-Backbone interact. energy: -0.016 local terms energy: -629.286805 where: bonds (distance) C4'-P energy: -126.110 bonds (distance) P-C4' energy: -114.875 flat angles C4'-P-C4' energy: -132.124 flat angles P-C4'-P energy: -95.125 tors. eta vs tors. theta energy: -161.053 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: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1871.952355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.952355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.952355 (E_RNA) where: Base-Base interactions energy: -1276.610 where: short stacking energy: -553.998 Base-Backbone interact. energy: -4.256 local terms energy: -591.086055 where: bonds (distance) C4'-P energy: -119.822 bonds (distance) P-C4' energy: -103.681 flat angles C4'-P-C4' energy: -119.003 flat angles P-C4'-P energy: -78.844 tors. eta vs tors. theta energy: -169.736 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: 5, replica: 3 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1772.017106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.017106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.017106 (E_RNA) where: Base-Base interactions energy: -1217.056 where: short stacking energy: -523.551 Base-Backbone interact. energy: 0.772 local terms energy: -555.733280 where: bonds (distance) C4'-P energy: -94.835 bonds (distance) P-C4' energy: -96.509 flat angles C4'-P-C4' energy: -120.844 flat angles P-C4'-P energy: -88.710 tors. eta vs tors. theta energy: -154.836 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: 90 Temperature: 1.150000 Total energy: -1614.667034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.667034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.667034 (E_RNA) where: Base-Base interactions energy: -1093.518 where: short stacking energy: -473.609 Base-Backbone interact. energy: 4.892 local terms energy: -526.041417 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -109.674 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -75.457 tors. eta vs tors. theta energy: -125.628 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: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1124.110020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.110020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.110020 (E_RNA) where: Base-Base interactions energy: -686.520 where: short stacking energy: -345.821 Base-Backbone interact. energy: 2.153 local terms energy: -439.743356 where: bonds (distance) C4'-P energy: -80.699 bonds (distance) P-C4' energy: -107.623 flat angles C4'-P-C4' energy: -100.776 flat angles P-C4'-P energy: -67.420 tors. eta vs tors. theta energy: -83.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1025.781627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.781627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.781627 (E_RNA) where: Base-Base interactions energy: -624.727 where: short stacking energy: -291.587 Base-Backbone interact. energy: -2.686 local terms energy: -398.368356 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -115.918 flat angles C4'-P-C4' energy: -86.592 flat angles P-C4'-P energy: -57.337 tors. eta vs tors. theta energy: -45.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1124.527596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.527596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.527596 (E_RNA) where: Base-Base interactions energy: -686.038 where: short stacking energy: -307.502 Base-Backbone interact. energy: -1.195 local terms energy: -437.294275 where: bonds (distance) C4'-P energy: -99.393 bonds (distance) P-C4' energy: -98.358 flat angles C4'-P-C4' energy: -112.344 flat angles P-C4'-P energy: -61.996 tors. eta vs tors. theta energy: -65.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -675.016587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.016587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.016587 (E_RNA) where: Base-Base interactions energy: -350.988 where: short stacking energy: -180.752 Base-Backbone interact. energy: 0.710 local terms energy: -324.738291 where: bonds (distance) C4'-P energy: -91.857 bonds (distance) P-C4' energy: -85.926 flat angles C4'-P-C4' energy: -96.449 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -9.657 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: 10 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2188.439593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.439593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.439593 (E_RNA) where: Base-Base interactions energy: -1530.113 where: short stacking energy: -592.659 Base-Backbone interact. energy: -1.672 local terms energy: -656.655081 where: bonds (distance) C4'-P energy: -121.209 bonds (distance) P-C4' energy: -124.464 flat angles C4'-P-C4' energy: -142.270 flat angles P-C4'-P energy: -94.426 tors. eta vs tors. theta energy: -174.287 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: 8 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2041.081026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.081026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.081026 (E_RNA) where: Base-Base interactions energy: -1383.823 where: short stacking energy: -591.329 Base-Backbone interact. energy: -0.362 local terms energy: -656.896063 where: bonds (distance) C4'-P energy: -129.506 bonds (distance) P-C4' energy: -122.002 flat angles C4'-P-C4' energy: -128.720 flat angles P-C4'-P energy: -102.350 tors. eta vs tors. theta energy: -174.318 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: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2073.430301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.430301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.430301 (E_RNA) where: Base-Base interactions energy: -1436.456 where: short stacking energy: -573.263 Base-Backbone interact. energy: -1.548 local terms energy: -635.426811 where: bonds (distance) C4'-P energy: -121.998 bonds (distance) P-C4' energy: -112.710 flat angles C4'-P-C4' energy: -142.350 flat angles P-C4'-P energy: -93.529 tors. eta vs tors. theta energy: -164.840 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: 3 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1824.046247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.046247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.046247 (E_RNA) where: Base-Base interactions energy: -1224.938 where: short stacking energy: -530.696 Base-Backbone interact. energy: -2.112 local terms energy: -596.995792 where: bonds (distance) C4'-P energy: -101.528 bonds (distance) P-C4' energy: -109.174 flat angles C4'-P-C4' energy: -133.143 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -163.866 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: 91 Temperature: 1.100000 Total energy: -1723.106908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.106908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.106908 (E_RNA) where: Base-Base interactions energy: -1175.919 where: short stacking energy: -517.899 Base-Backbone interact. energy: -1.245 local terms energy: -545.943222 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -120.858 flat angles P-C4'-P energy: -68.385 tors. eta vs tors. theta energy: -144.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1621.990950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.990950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.990950 (E_RNA) where: Base-Base interactions energy: -1099.660 where: short stacking energy: -450.421 Base-Backbone interact. energy: -0.245 local terms energy: -522.086443 where: bonds (distance) C4'-P energy: -102.047 bonds (distance) P-C4' energy: -99.589 flat angles C4'-P-C4' energy: -118.935 flat angles P-C4'-P energy: -82.574 tors. eta vs tors. theta energy: -118.941 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: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1176.563213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.563213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.563213 (E_RNA) where: Base-Base interactions energy: -701.326 where: short stacking energy: -344.497 Base-Backbone interact. energy: -1.982 local terms energy: -473.255008 where: bonds (distance) C4'-P energy: -102.038 bonds (distance) P-C4' energy: -109.304 flat angles C4'-P-C4' energy: -122.986 flat angles P-C4'-P energy: -66.010 tors. eta vs tors. theta energy: -72.916 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1164.481663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.481663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.481663 (E_RNA) where: Base-Base interactions energy: -711.868 where: short stacking energy: -311.733 Base-Backbone interact. energy: 0.052 local terms energy: -452.665692 where: bonds (distance) C4'-P energy: -96.918 bonds (distance) P-C4' energy: -116.264 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -66.992 tors. eta vs tors. theta energy: -68.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -995.202146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.202146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.202146 (E_RNA) where: Base-Base interactions energy: -596.232 where: short stacking energy: -305.677 Base-Backbone interact. energy: -0.616 local terms energy: -398.354621 where: bonds (distance) C4'-P energy: -81.752 bonds (distance) P-C4' energy: -116.426 flat angles C4'-P-C4' energy: -90.946 flat angles P-C4'-P energy: -43.043 tors. eta vs tors. theta energy: -66.188 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: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -665.364751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.364751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.364751 (E_RNA) where: Base-Base interactions energy: -310.952 where: short stacking energy: -156.343 Base-Backbone interact. energy: -2.475 local terms energy: -351.938291 where: bonds (distance) C4'-P energy: -99.546 bonds (distance) P-C4' energy: -107.071 flat angles C4'-P-C4' energy: -112.823 flat angles P-C4'-P energy: -44.729 tors. eta vs tors. theta energy: 12.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2185.703524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.703524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.703524 (E_RNA) where: Base-Base interactions energy: -1525.773 where: short stacking energy: -607.264 Base-Backbone interact. energy: 0.615 local terms energy: -660.545471 where: bonds (distance) C4'-P energy: -124.956 bonds (distance) P-C4' energy: -132.415 flat angles C4'-P-C4' energy: -132.753 flat angles P-C4'-P energy: -90.779 tors. eta vs tors. theta energy: -179.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2014.287937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.287937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.287937 (E_RNA) where: Base-Base interactions energy: -1359.397 where: short stacking energy: -583.076 Base-Backbone interact. energy: 0.119 local terms energy: -655.010416 where: bonds (distance) C4'-P energy: -117.385 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -139.517 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: -173.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2022.297775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.297775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.297775 (E_RNA) where: Base-Base interactions energy: -1415.210 where: short stacking energy: -594.723 Base-Backbone interact. energy: -1.270 local terms energy: -605.817697 where: bonds (distance) C4'-P energy: -116.955 bonds (distance) P-C4' energy: -126.051 flat angles C4'-P-C4' energy: -126.298 flat angles P-C4'-P energy: -69.040 tors. eta vs tors. theta energy: -167.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1895.072180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.072180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.072180 (E_RNA) where: Base-Base interactions energy: -1252.895 where: short stacking energy: -577.798 Base-Backbone interact. energy: -1.863 local terms energy: -640.314460 where: bonds (distance) C4'-P energy: -123.093 bonds (distance) P-C4' energy: -117.135 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -84.350 tors. eta vs tors. theta energy: -180.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1767.657247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.657247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.657247 (E_RNA) where: Base-Base interactions energy: -1168.312 where: short stacking energy: -493.939 Base-Backbone interact. energy: -2.235 local terms energy: -597.110126 where: bonds (distance) C4'-P energy: -118.670 bonds (distance) P-C4' energy: -108.635 flat angles C4'-P-C4' energy: -130.406 flat angles P-C4'-P energy: -83.569 tors. eta vs tors. theta energy: -155.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1611.356283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.356283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.356283 (E_RNA) where: Base-Base interactions energy: -1073.236 where: short stacking energy: -452.898 Base-Backbone interact. energy: -2.121 local terms energy: -535.999878 where: bonds (distance) C4'-P energy: -103.108 bonds (distance) P-C4' energy: -97.376 flat angles C4'-P-C4' energy: -119.944 flat angles P-C4'-P energy: -84.727 tors. eta vs tors. theta energy: -130.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1292.076938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.076938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.076938 (E_RNA) where: Base-Base interactions energy: -815.728 where: short stacking energy: -353.775 Base-Backbone interact. energy: 4.296 local terms energy: -480.645770 where: bonds (distance) C4'-P energy: -101.570 bonds (distance) P-C4' energy: -111.256 flat angles C4'-P-C4' energy: -119.202 flat angles P-C4'-P energy: -67.115 tors. eta vs tors. theta energy: -81.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1093.036632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.036632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.036632 (E_RNA) where: Base-Base interactions energy: -665.853 where: short stacking energy: -338.891 Base-Backbone interact. energy: -3.048 local terms energy: -424.136175 where: bonds (distance) C4'-P energy: -101.817 bonds (distance) P-C4' energy: -109.395 flat angles C4'-P-C4' energy: -90.200 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -62.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -972.996070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.996070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.996070 (E_RNA) where: Base-Base interactions energy: -583.049 where: short stacking energy: -285.290 Base-Backbone interact. energy: 3.844 local terms energy: -393.790567 where: bonds (distance) C4'-P energy: -106.433 bonds (distance) P-C4' energy: -90.196 flat angles C4'-P-C4' energy: -110.068 flat angles P-C4'-P energy: -43.703 tors. eta vs tors. theta energy: -43.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -730.358852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.358852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.358852 (E_RNA) where: Base-Base interactions energy: -383.241 where: short stacking energy: -201.580 Base-Backbone interact. energy: 2.451 local terms energy: -349.568377 where: bonds (distance) C4'-P energy: -95.907 bonds (distance) P-C4' energy: -106.643 flat angles C4'-P-C4' energy: -78.022 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -19.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2179.770898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.770898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.770898 (E_RNA) where: Base-Base interactions energy: -1529.452 where: short stacking energy: -640.110 Base-Backbone interact. energy: -2.552 local terms energy: -647.766581 where: bonds (distance) C4'-P energy: -115.695 bonds (distance) P-C4' energy: -121.274 flat angles C4'-P-C4' energy: -130.974 flat angles P-C4'-P energy: -96.086 tors. eta vs tors. theta energy: -183.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2095.878969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.878969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.878969 (E_RNA) where: Base-Base interactions energy: -1472.650 where: short stacking energy: -605.146 Base-Backbone interact. energy: 0.191 local terms energy: -623.419618 where: bonds (distance) C4'-P energy: -109.700 bonds (distance) P-C4' energy: -115.001 flat angles C4'-P-C4' energy: -135.963 flat angles P-C4'-P energy: -81.781 tors. eta vs tors. theta energy: -180.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1967.630991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.630991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.630991 (E_RNA) where: Base-Base interactions energy: -1336.617 where: short stacking energy: -579.775 Base-Backbone interact. energy: -0.684 local terms energy: -630.329718 where: bonds (distance) C4'-P energy: -123.853 bonds (distance) P-C4' energy: -121.529 flat angles C4'-P-C4' energy: -137.067 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -168.251 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: 3 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1900.044171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.044171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.044171 (E_RNA) where: Base-Base interactions energy: -1302.881 where: short stacking energy: -563.466 Base-Backbone interact. energy: -0.806 local terms energy: -596.357485 where: bonds (distance) C4'-P energy: -110.131 bonds (distance) P-C4' energy: -111.715 flat angles C4'-P-C4' energy: -127.016 flat angles P-C4'-P energy: -82.681 tors. eta vs tors. theta energy: -164.816 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: 5, replica: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1742.738485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.738485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.738485 (E_RNA) where: Base-Base interactions energy: -1185.820 where: short stacking energy: -507.516 Base-Backbone interact. energy: -0.488 local terms energy: -556.430317 where: bonds (distance) C4'-P energy: -99.278 bonds (distance) P-C4' energy: -100.980 flat angles C4'-P-C4' energy: -131.450 flat angles P-C4'-P energy: -82.217 tors. eta vs tors. theta energy: -142.505 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: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1620.928946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.928946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.928946 (E_RNA) where: Base-Base interactions energy: -1109.375 where: short stacking energy: -458.603 Base-Backbone interact. energy: -0.173 local terms energy: -511.380750 where: bonds (distance) C4'-P energy: -99.259 bonds (distance) P-C4' energy: -98.595 flat angles C4'-P-C4' energy: -122.552 flat angles P-C4'-P energy: -56.361 tors. eta vs tors. theta energy: -134.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1294.084847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.084847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.084847 (E_RNA) where: Base-Base interactions energy: -848.402 where: short stacking energy: -369.117 Base-Backbone interact. energy: 3.010 local terms energy: -448.693092 where: bonds (distance) C4'-P energy: -114.405 bonds (distance) P-C4' energy: -99.109 flat angles C4'-P-C4' energy: -90.960 flat angles P-C4'-P energy: -65.871 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1129.253768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.253768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.253768 (E_RNA) where: Base-Base interactions energy: -713.023 where: short stacking energy: -326.186 Base-Backbone interact. energy: -1.884 local terms energy: -414.346936 where: bonds (distance) C4'-P energy: -98.125 bonds (distance) P-C4' energy: -98.261 flat angles C4'-P-C4' energy: -102.408 flat angles P-C4'-P energy: -52.207 tors. eta vs tors. theta energy: -63.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -977.910199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.910199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.910199 (E_RNA) where: Base-Base interactions energy: -570.809 where: short stacking energy: -257.752 Base-Backbone interact. energy: -0.680 local terms energy: -406.421379 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -107.821 flat angles C4'-P-C4' energy: -95.670 flat angles P-C4'-P energy: -58.388 tors. eta vs tors. theta energy: -61.057 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: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -728.769593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.769593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.769593 (E_RNA) where: Base-Base interactions energy: -371.962 where: short stacking energy: -212.537 Base-Backbone interact. energy: -5.151 local terms energy: -351.657109 where: bonds (distance) C4'-P energy: -83.017 bonds (distance) P-C4' energy: -109.805 flat angles C4'-P-C4' energy: -80.261 flat angles P-C4'-P energy: -65.237 tors. eta vs tors. theta energy: -13.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2186.543910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.543910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.543910 (E_RNA) where: Base-Base interactions energy: -1522.266 where: short stacking energy: -652.282 Base-Backbone interact. energy: -1.202 local terms energy: -663.075979 where: bonds (distance) C4'-P energy: -111.906 bonds (distance) P-C4' energy: -117.828 flat angles C4'-P-C4' energy: -139.799 flat angles P-C4'-P energy: -105.437 tors. eta vs tors. theta energy: -188.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2137.028561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.028561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.028561 (E_RNA) where: Base-Base interactions energy: -1504.445 where: short stacking energy: -584.735 Base-Backbone interact. energy: 5.565 local terms energy: -638.148958 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -116.089 flat angles C4'-P-C4' energy: -141.119 flat angles P-C4'-P energy: -96.603 tors. eta vs tors. theta energy: -174.441 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: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1947.975368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.975368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.975368 (E_RNA) where: Base-Base interactions energy: -1328.803 where: short stacking energy: -556.095 Base-Backbone interact. energy: -1.015 local terms energy: -618.157530 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -127.129 flat angles C4'-P-C4' energy: -131.879 flat angles P-C4'-P energy: -83.657 tors. eta vs tors. theta energy: -162.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1894.575577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.575577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.575577 (E_RNA) where: Base-Base interactions energy: -1294.995 where: short stacking energy: -570.446 Base-Backbone interact. energy: -2.618 local terms energy: -596.962814 where: bonds (distance) C4'-P energy: -104.184 bonds (distance) P-C4' energy: -110.269 flat angles C4'-P-C4' energy: -135.614 flat angles P-C4'-P energy: -82.443 tors. eta vs tors. theta energy: -164.453 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: 4 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1715.344004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.344004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.344004 (E_RNA) where: Base-Base interactions energy: -1140.049 where: short stacking energy: -502.118 Base-Backbone interact. energy: 2.589 local terms energy: -577.884782 where: bonds (distance) C4'-P energy: -108.701 bonds (distance) P-C4' energy: -126.028 flat angles C4'-P-C4' energy: -128.390 flat angles P-C4'-P energy: -78.201 tors. eta vs tors. theta energy: -136.564 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: 94 Temperature: 1.150000 Total energy: -1650.029036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.029036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.029036 (E_RNA) where: Base-Base interactions energy: -1105.511 where: short stacking energy: -462.536 Base-Backbone interact. energy: -1.506 local terms energy: -543.012050 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -109.441 flat angles C4'-P-C4' energy: -128.741 flat angles P-C4'-P energy: -78.287 tors. eta vs tors. theta energy: -114.943 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: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1405.942001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.942001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.942001 (E_RNA) where: Base-Base interactions energy: -907.756 where: short stacking energy: -412.309 Base-Backbone interact. energy: -2.476 local terms energy: -495.710229 where: bonds (distance) C4'-P energy: -111.542 bonds (distance) P-C4' energy: -103.431 flat angles C4'-P-C4' energy: -117.626 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -100.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1120.290393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.290393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.290393 (E_RNA) where: Base-Base interactions energy: -665.967 where: short stacking energy: -309.474 Base-Backbone interact. energy: -1.708 local terms energy: -452.615302 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -112.642 flat angles C4'-P-C4' energy: -111.209 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: -60.577 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: 9, replica: 1 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1005.672683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.672683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.672683 (E_RNA) where: Base-Base interactions energy: -606.876 where: short stacking energy: -296.613 Base-Backbone interact. energy: 2.732 local terms energy: -401.528125 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -102.237 flat angles C4'-P-C4' energy: -93.674 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -49.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -726.352091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.352091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.352091 (E_RNA) where: Base-Base interactions energy: -394.588 where: short stacking energy: -202.560 Base-Backbone interact. energy: 2.218 local terms energy: -333.982995 where: bonds (distance) C4'-P energy: -102.187 bonds (distance) P-C4' energy: -97.569 flat angles C4'-P-C4' energy: -77.851 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -9.916 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: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2177.887692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.887692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.887692 (E_RNA) where: Base-Base interactions energy: -1497.783 where: short stacking energy: -629.924 Base-Backbone interact. energy: 1.855 local terms energy: -681.960023 where: bonds (distance) C4'-P energy: -121.554 bonds (distance) P-C4' energy: -123.131 flat angles C4'-P-C4' energy: -143.904 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -185.916 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: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2141.191627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.191627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.191627 (E_RNA) where: Base-Base interactions energy: -1496.940 where: short stacking energy: -599.523 Base-Backbone interact. energy: -0.214 local terms energy: -644.037161 where: bonds (distance) C4'-P energy: -119.487 bonds (distance) P-C4' energy: -115.963 flat angles C4'-P-C4' energy: -142.895 flat angles P-C4'-P energy: -87.034 tors. eta vs tors. theta energy: -178.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1965.532962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.532962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.532962 (E_RNA) where: Base-Base interactions energy: -1330.275 where: short stacking energy: -548.460 Base-Backbone interact. energy: -0.216 local terms energy: -635.041740 where: bonds (distance) C4'-P energy: -122.595 bonds (distance) P-C4' energy: -110.141 flat angles C4'-P-C4' energy: -146.529 flat angles P-C4'-P energy: -88.149 tors. eta vs tors. theta energy: -167.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1893.005822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.005822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.005822 (E_RNA) where: Base-Base interactions energy: -1273.412 where: short stacking energy: -547.541 Base-Backbone interact. energy: 0.440 local terms energy: -620.033222 where: bonds (distance) C4'-P energy: -117.416 bonds (distance) P-C4' energy: -117.048 flat angles C4'-P-C4' energy: -127.232 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -172.566 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: 95 Temperature: 1.100000 Total energy: -1698.889470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.889470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.889470 (E_RNA) where: Base-Base interactions energy: -1120.679 where: short stacking energy: -490.650 Base-Backbone interact. energy: -3.299 local terms energy: -574.912329 where: bonds (distance) C4'-P energy: -108.309 bonds (distance) P-C4' energy: -103.384 flat angles C4'-P-C4' energy: -132.322 flat angles P-C4'-P energy: -75.835 tors. eta vs tors. theta energy: -155.061 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: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1644.469213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.469213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.469213 (E_RNA) where: Base-Base interactions energy: -1115.787 where: short stacking energy: -479.603 Base-Backbone interact. energy: -0.259 local terms energy: -528.422638 where: bonds (distance) C4'-P energy: -97.872 bonds (distance) P-C4' energy: -98.600 flat angles C4'-P-C4' energy: -111.155 flat angles P-C4'-P energy: -79.617 tors. eta vs tors. theta energy: -141.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1442.106883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.106883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.106883 (E_RNA) where: Base-Base interactions energy: -936.675 where: short stacking energy: -389.217 Base-Backbone interact. energy: -1.393 local terms energy: -504.038113 where: bonds (distance) C4'-P energy: -97.903 bonds (distance) P-C4' energy: -117.544 flat angles C4'-P-C4' energy: -120.931 flat angles P-C4'-P energy: -75.705 tors. eta vs tors. theta energy: -91.955 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: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1042.457513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.457513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.457513 (E_RNA) where: Base-Base interactions energy: -608.556 where: short stacking energy: -285.983 Base-Backbone interact. energy: 2.186 local terms energy: -436.087211 where: bonds (distance) C4'-P energy: -99.670 bonds (distance) P-C4' energy: -110.058 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -63.540 tors. eta vs tors. theta energy: -56.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -983.590918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.590918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.590918 (E_RNA) where: Base-Base interactions energy: -583.095 where: short stacking energy: -267.765 Base-Backbone interact. energy: 0.624 local terms energy: -401.119437 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -105.798 flat angles C4'-P-C4' energy: -102.585 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -34.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -758.463847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.463847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.463847 (E_RNA) where: Base-Base interactions energy: -427.726 where: short stacking energy: -214.092 Base-Backbone interact. energy: 5.226 local terms energy: -335.964063 where: bonds (distance) C4'-P energy: -108.522 bonds (distance) P-C4' energy: -104.024 flat angles C4'-P-C4' energy: -73.102 flat angles P-C4'-P energy: -40.424 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2167.453470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.453470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.453470 (E_RNA) where: Base-Base interactions energy: -1504.578 where: short stacking energy: -629.026 Base-Backbone interact. energy: -1.153 local terms energy: -661.722148 where: bonds (distance) C4'-P energy: -116.018 bonds (distance) P-C4' energy: -131.483 flat angles C4'-P-C4' energy: -133.216 flat angles P-C4'-P energy: -105.365 tors. eta vs tors. theta energy: -175.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2144.221106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.221106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.221106 (E_RNA) where: Base-Base interactions energy: -1492.914 where: short stacking energy: -599.302 Base-Backbone interact. energy: -4.601 local terms energy: -646.706498 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -118.437 flat angles C4'-P-C4' energy: -137.003 flat angles P-C4'-P energy: -103.279 tors. eta vs tors. theta energy: -177.772 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: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1949.665242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.665242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.665242 (E_RNA) where: Base-Base interactions energy: -1299.164 where: short stacking energy: -576.507 Base-Backbone interact. energy: -1.382 local terms energy: -649.118456 where: bonds (distance) C4'-P energy: -114.477 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -136.306 flat angles P-C4'-P energy: -98.065 tors. eta vs tors. theta energy: -173.350 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: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1896.951711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.951711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.951711 (E_RNA) where: Base-Base interactions energy: -1272.239 where: short stacking energy: -574.079 Base-Backbone interact. energy: -0.888 local terms energy: -623.824460 where: bonds (distance) C4'-P energy: -105.778 bonds (distance) P-C4' energy: -123.452 flat angles C4'-P-C4' energy: -135.358 flat angles P-C4'-P energy: -87.695 tors. eta vs tors. theta energy: -171.541 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: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1735.970254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.970254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.970254 (E_RNA) where: Base-Base interactions energy: -1202.446 where: short stacking energy: -501.623 Base-Backbone interact. energy: -3.120 local terms energy: -530.403501 where: bonds (distance) C4'-P energy: -84.761 bonds (distance) P-C4' energy: -111.984 flat angles C4'-P-C4' energy: -111.344 flat angles P-C4'-P energy: -87.783 tors. eta vs tors. theta energy: -134.532 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: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1676.137341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.137341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.137341 (E_RNA) where: Base-Base interactions energy: -1117.738 where: short stacking energy: -479.320 Base-Backbone interact. energy: -1.952 local terms energy: -556.446774 where: bonds (distance) C4'-P energy: -117.126 bonds (distance) P-C4' energy: -106.816 flat angles C4'-P-C4' energy: -113.453 flat angles P-C4'-P energy: -76.746 tors. eta vs tors. theta energy: -142.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1419.181153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.181153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.181153 (E_RNA) where: Base-Base interactions energy: -924.540 where: short stacking energy: -407.783 Base-Backbone interact. energy: -1.674 local terms energy: -492.967270 where: bonds (distance) C4'-P energy: -100.861 bonds (distance) P-C4' energy: -114.112 flat angles C4'-P-C4' energy: -106.476 flat angles P-C4'-P energy: -64.104 tors. eta vs tors. theta energy: -107.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1026.732141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.732141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.732141 (E_RNA) where: Base-Base interactions energy: -593.946 where: short stacking energy: -283.213 Base-Backbone interact. energy: 0.431 local terms energy: -433.217402 where: bonds (distance) C4'-P energy: -107.651 bonds (distance) P-C4' energy: -121.294 flat angles C4'-P-C4' energy: -95.756 flat angles P-C4'-P energy: -64.198 tors. eta vs tors. theta energy: -44.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -877.582289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.582289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.582289 (E_RNA) where: Base-Base interactions energy: -519.076 where: short stacking energy: -230.542 Base-Backbone interact. energy: -0.358 local terms energy: -358.148542 where: bonds (distance) C4'-P energy: -68.737 bonds (distance) P-C4' energy: -103.818 flat angles C4'-P-C4' energy: -89.729 flat angles P-C4'-P energy: -64.465 tors. eta vs tors. theta energy: -31.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -771.649549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.649549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.649549 (E_RNA) where: Base-Base interactions energy: -423.405 where: short stacking energy: -228.351 Base-Backbone interact. energy: -3.050 local terms energy: -345.194420 where: bonds (distance) C4'-P energy: -87.249 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -87.240 flat angles P-C4'-P energy: -42.758 tors. eta vs tors. theta energy: -16.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2205.758941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.758941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.758941 (E_RNA) where: Base-Base interactions energy: -1533.035 where: short stacking energy: -637.034 Base-Backbone interact. energy: -1.033 local terms energy: -671.690655 where: bonds (distance) C4'-P energy: -114.391 bonds (distance) P-C4' energy: -129.671 flat angles C4'-P-C4' energy: -142.805 flat angles P-C4'-P energy: -100.443 tors. eta vs tors. theta energy: -184.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2159.479000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.479000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.479000 (E_RNA) where: Base-Base interactions energy: -1511.694 where: short stacking energy: -590.918 Base-Backbone interact. energy: 0.006 local terms energy: -647.791337 where: bonds (distance) C4'-P energy: -112.025 bonds (distance) P-C4' energy: -119.617 flat angles C4'-P-C4' energy: -141.278 flat angles P-C4'-P energy: -98.072 tors. eta vs tors. theta energy: -176.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1953.664038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.664038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.664038 (E_RNA) where: Base-Base interactions energy: -1332.983 where: short stacking energy: -534.524 Base-Backbone interact. energy: 0.484 local terms energy: -621.164848 where: bonds (distance) C4'-P energy: -120.790 bonds (distance) P-C4' energy: -116.554 flat angles C4'-P-C4' energy: -125.621 flat angles P-C4'-P energy: -98.911 tors. eta vs tors. theta energy: -159.290 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: 97 Temperature: 1.050000 Total energy: -1905.587451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.587451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.587451 (E_RNA) where: Base-Base interactions energy: -1298.924 where: short stacking energy: -562.944 Base-Backbone interact. energy: 0.123 local terms energy: -606.785917 where: bonds (distance) C4'-P energy: -106.506 bonds (distance) P-C4' energy: -103.409 flat angles C4'-P-C4' energy: -126.693 flat angles P-C4'-P energy: -94.143 tors. eta vs tors. theta energy: -176.034 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: 97 Temperature: 1.100000 Total energy: -1774.856447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.856447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.856447 (E_RNA) where: Base-Base interactions energy: -1195.387 where: short stacking energy: -516.701 Base-Backbone interact. energy: 1.930 local terms energy: -581.399607 where: bonds (distance) C4'-P energy: -103.191 bonds (distance) P-C4' energy: -120.977 flat angles C4'-P-C4' energy: -126.552 flat angles P-C4'-P energy: -83.306 tors. eta vs tors. theta energy: -147.375 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: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1578.778895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.778895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.778895 (E_RNA) where: Base-Base interactions energy: -1086.079 where: short stacking energy: -469.291 Base-Backbone interact. energy: -1.278 local terms energy: -491.421778 where: bonds (distance) C4'-P energy: -93.819 bonds (distance) P-C4' energy: -83.497 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -60.249 tors. eta vs tors. theta energy: -132.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1347.249151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.249151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.249151 (E_RNA) where: Base-Base interactions energy: -904.525 where: short stacking energy: -413.397 Base-Backbone interact. energy: 4.764 local terms energy: -447.487719 where: bonds (distance) C4'-P energy: -105.099 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -92.932 flat angles P-C4'-P energy: -64.147 tors. eta vs tors. theta energy: -87.292 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: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1091.718842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.718842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.718842 (E_RNA) where: Base-Base interactions energy: -645.290 where: short stacking energy: -293.530 Base-Backbone interact. energy: -1.273 local terms energy: -445.155823 where: bonds (distance) C4'-P energy: -96.381 bonds (distance) P-C4' energy: -109.753 flat angles C4'-P-C4' energy: -98.833 flat angles P-C4'-P energy: -68.223 tors. eta vs tors. theta energy: -71.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -774.353941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.353941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.353941 (E_RNA) where: Base-Base interactions energy: -423.207 where: short stacking energy: -219.786 Base-Backbone interact. energy: 3.910 local terms energy: -355.056601 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -102.503 flat angles C4'-P-C4' energy: -87.334 flat angles P-C4'-P energy: -63.951 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -782.132821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.132821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.132821 (E_RNA) where: Base-Base interactions energy: -409.123 where: short stacking energy: -207.510 Base-Backbone interact. energy: 0.133 local terms energy: -373.142183 where: bonds (distance) C4'-P energy: -91.731 bonds (distance) P-C4' energy: -96.165 flat angles C4'-P-C4' energy: -98.306 flat angles P-C4'-P energy: -69.406 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2216.557710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.557710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.557710 (E_RNA) where: Base-Base interactions energy: -1527.018 where: short stacking energy: -624.873 Base-Backbone interact. energy: -2.578 local terms energy: -686.961937 where: bonds (distance) C4'-P energy: -119.240 bonds (distance) P-C4' energy: -127.186 flat angles C4'-P-C4' energy: -151.034 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -184.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2148.473073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.473073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.473073 (E_RNA) where: Base-Base interactions energy: -1529.145 where: short stacking energy: -611.591 Base-Backbone interact. energy: -2.652 local terms energy: -616.675689 where: bonds (distance) C4'-P energy: -109.859 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -126.558 flat angles P-C4'-P energy: -87.032 tors. eta vs tors. theta energy: -175.428 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: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1953.308308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.308308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.308308 (E_RNA) where: Base-Base interactions energy: -1322.994 where: short stacking energy: -557.701 Base-Backbone interact. energy: -1.946 local terms energy: -628.368206 where: bonds (distance) C4'-P energy: -99.674 bonds (distance) P-C4' energy: -124.176 flat angles C4'-P-C4' energy: -142.426 flat angles P-C4'-P energy: -101.313 tors. eta vs tors. theta energy: -160.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1860.183734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.183734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.183734 (E_RNA) where: Base-Base interactions energy: -1258.529 where: short stacking energy: -551.158 Base-Backbone interact. energy: 1.717 local terms energy: -603.371763 where: bonds (distance) C4'-P energy: -129.061 bonds (distance) P-C4' energy: -104.834 flat angles C4'-P-C4' energy: -128.657 flat angles P-C4'-P energy: -75.557 tors. eta vs tors. theta energy: -165.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1765.445246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.445246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.445246 (E_RNA) where: Base-Base interactions energy: -1197.678 where: short stacking energy: -515.202 Base-Backbone interact. energy: 4.363 local terms energy: -572.130795 where: bonds (distance) C4'-P energy: -106.979 bonds (distance) P-C4' energy: -101.406 flat angles C4'-P-C4' energy: -137.394 flat angles P-C4'-P energy: -78.656 tors. eta vs tors. theta energy: -147.696 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: 4 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1554.568216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.568216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.568216 (E_RNA) where: Base-Base interactions energy: -1011.119 where: short stacking energy: -426.278 Base-Backbone interact. energy: -0.198 local terms energy: -543.250707 where: bonds (distance) C4'-P energy: -115.031 bonds (distance) P-C4' energy: -107.478 flat angles C4'-P-C4' energy: -114.725 flat angles P-C4'-P energy: -83.262 tors. eta vs tors. theta energy: -122.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1364.812356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.812356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.812356 (E_RNA) where: Base-Base interactions energy: -902.229 where: short stacking energy: -398.771 Base-Backbone interact. energy: -2.630 local terms energy: -459.954184 where: bonds (distance) C4'-P energy: -105.220 bonds (distance) P-C4' energy: -100.338 flat angles C4'-P-C4' energy: -109.395 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -79.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1125.672306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.672306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.672306 (E_RNA) where: Base-Base interactions energy: -693.966 where: short stacking energy: -310.514 Base-Backbone interact. energy: -1.686 local terms energy: -430.020977 where: bonds (distance) C4'-P energy: -90.769 bonds (distance) P-C4' energy: -101.525 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -73.422 tors. eta vs tors. theta energy: -63.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -841.135256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.135256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.135256 (E_RNA) where: Base-Base interactions energy: -458.531 where: short stacking energy: -235.984 Base-Backbone interact. energy: 4.567 local terms energy: -387.171537 where: bonds (distance) C4'-P energy: -102.773 bonds (distance) P-C4' energy: -99.820 flat angles C4'-P-C4' energy: -111.921 flat angles P-C4'-P energy: -52.007 tors. eta vs tors. theta energy: -20.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -820.336112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.336112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.336112 (E_RNA) where: Base-Base interactions energy: -422.813 where: short stacking energy: -216.676 Base-Backbone interact. energy: 0.258 local terms energy: -397.780855 where: bonds (distance) C4'-P energy: -95.929 bonds (distance) P-C4' energy: -108.465 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -57.077 tors. eta vs tors. theta energy: -29.945 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: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2251.513100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.513100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.513100 (E_RNA) where: Base-Base interactions energy: -1573.848 where: short stacking energy: -649.202 Base-Backbone interact. energy: -0.882 local terms energy: -676.783647 where: bonds (distance) C4'-P energy: -121.767 bonds (distance) P-C4' energy: -123.508 flat angles C4'-P-C4' energy: -135.666 flat angles P-C4'-P energy: -107.921 tors. eta vs tors. theta energy: -187.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2165.509435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.509435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.509435 (E_RNA) where: Base-Base interactions energy: -1525.568 where: short stacking energy: -609.936 Base-Backbone interact. energy: -4.500 local terms energy: -635.441069 where: bonds (distance) C4'-P energy: -103.947 bonds (distance) P-C4' energy: -119.760 flat angles C4'-P-C4' energy: -131.627 flat angles P-C4'-P energy: -93.586 tors. eta vs tors. theta energy: -186.520 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: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1934.084086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.084086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.084086 (E_RNA) where: Base-Base interactions energy: -1320.372 where: short stacking energy: -578.421 Base-Backbone interact. energy: 2.506 local terms energy: -616.217117 where: bonds (distance) C4'-P energy: -120.496 bonds (distance) P-C4' energy: -118.354 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -93.450 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: 4, replica: 3 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1894.256565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.256565 (E_RNA) where: Base-Base interactions energy: -1261.009 where: short stacking energy: -552.070 Base-Backbone interact. energy: -1.092 local terms energy: -632.155293 where: bonds (distance) C4'-P energy: -126.160 bonds (distance) P-C4' energy: -117.913 flat angles C4'-P-C4' energy: -132.770 flat angles P-C4'-P energy: -79.917 tors. eta vs tors. theta energy: -175.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1756.861571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.861571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.861571 (E_RNA) where: Base-Base interactions energy: -1180.729 where: short stacking energy: -475.378 Base-Backbone interact. energy: -3.340 local terms energy: -572.792355 where: bonds (distance) C4'-P energy: -109.569 bonds (distance) P-C4' energy: -121.091 flat angles C4'-P-C4' energy: -119.334 flat angles P-C4'-P energy: -86.390 tors. eta vs tors. theta energy: -136.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1507.338276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.338276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.338276 (E_RNA) where: Base-Base interactions energy: -991.944 where: short stacking energy: -406.082 Base-Backbone interact. energy: -1.623 local terms energy: -513.771034 where: bonds (distance) C4'-P energy: -110.835 bonds (distance) P-C4' energy: -110.294 flat angles C4'-P-C4' energy: -123.826 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -99.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1373.827078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.827078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.827078 (E_RNA) where: Base-Base interactions energy: -902.026 where: short stacking energy: -410.323 Base-Backbone interact. energy: 5.382 local terms energy: -477.182868 where: bonds (distance) C4'-P energy: -96.624 bonds (distance) P-C4' energy: -95.332 flat angles C4'-P-C4' energy: -120.635 flat angles P-C4'-P energy: -65.961 tors. eta vs tors. theta energy: -98.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1149.705794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.705794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.705794 (E_RNA) where: Base-Base interactions energy: -708.676 where: short stacking energy: -338.518 Base-Backbone interact. energy: -0.157 local terms energy: -440.872860 where: bonds (distance) C4'-P energy: -100.390 bonds (distance) P-C4' energy: -102.224 flat angles C4'-P-C4' energy: -108.792 flat angles P-C4'-P energy: -69.903 tors. eta vs tors. theta energy: -59.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -860.328472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.328472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.328472 (E_RNA) where: Base-Base interactions energy: -470.970 where: short stacking energy: -225.235 Base-Backbone interact. energy: -0.167 local terms energy: -389.191693 where: bonds (distance) C4'-P energy: -92.187 bonds (distance) P-C4' energy: -113.559 flat angles C4'-P-C4' energy: -112.417 flat angles P-C4'-P energy: -40.015 tors. eta vs tors. theta energy: -31.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -782.716291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.716291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.716291 (E_RNA) where: Base-Base interactions energy: -461.984 where: short stacking energy: -232.426 Base-Backbone interact. energy: -1.322 local terms energy: -319.410527 where: bonds (distance) C4'-P energy: -77.204 bonds (distance) P-C4' energy: -101.537 flat angles C4'-P-C4' energy: -81.966 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: -12.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2226.513310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.513310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.513310 (E_RNA) where: Base-Base interactions energy: -1526.348 where: short stacking energy: -628.601 Base-Backbone interact. energy: -0.359 local terms energy: -699.806781 where: bonds (distance) C4'-P energy: -123.017 bonds (distance) P-C4' energy: -129.225 flat angles C4'-P-C4' energy: -142.140 flat angles P-C4'-P energy: -100.900 tors. eta vs tors. theta energy: -204.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2148.774826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.774826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.774826 (E_RNA) where: Base-Base interactions energy: -1495.767 where: short stacking energy: -593.966 Base-Backbone interact. energy: -5.124 local terms energy: -647.884071 where: bonds (distance) C4'-P energy: -119.298 bonds (distance) P-C4' energy: -131.504 flat angles C4'-P-C4' energy: -132.954 flat angles P-C4'-P energy: -89.810 tors. eta vs tors. theta energy: -174.318 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: 100 Temperature: 1.000000 Total energy: -1979.502629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.502629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.502629 (E_RNA) where: Base-Base interactions energy: -1367.808 where: short stacking energy: -609.672 Base-Backbone interact. energy: -1.342 local terms energy: -610.352738 where: bonds (distance) C4'-P energy: -110.766 bonds (distance) P-C4' energy: -109.665 flat angles C4'-P-C4' energy: -129.404 flat angles P-C4'-P energy: -88.032 tors. eta vs tors. theta energy: -172.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1885.840076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.840076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.840076 (E_RNA) where: Base-Base interactions energy: -1270.840 where: short stacking energy: -547.240 Base-Backbone interact. energy: 1.765 local terms energy: -616.764688 where: bonds (distance) C4'-P energy: -114.443 bonds (distance) P-C4' energy: -110.441 flat angles C4'-P-C4' energy: -142.403 flat angles P-C4'-P energy: -89.234 tors. eta vs tors. theta energy: -160.243 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: 100 Temperature: 1.100000 Total energy: -1822.216980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.216980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.216980 (E_RNA) where: Base-Base interactions energy: -1254.409 where: short stacking energy: -520.908 Base-Backbone interact. energy: 2.080 local terms energy: -569.887802 where: bonds (distance) C4'-P energy: -114.182 bonds (distance) P-C4' energy: -101.119 flat angles C4'-P-C4' energy: -123.985 flat angles P-C4'-P energy: -87.906 tors. eta vs tors. theta energy: -142.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1539.415370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.415370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.415370 (E_RNA) where: Base-Base interactions energy: -1032.228 where: short stacking energy: -441.370 Base-Backbone interact. energy: -3.419 local terms energy: -503.768644 where: bonds (distance) C4'-P energy: -101.647 bonds (distance) P-C4' energy: -97.947 flat angles C4'-P-C4' energy: -110.822 flat angles P-C4'-P energy: -59.179 tors. eta vs tors. theta energy: -134.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1377.102853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.102853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.102853 (E_RNA) where: Base-Base interactions energy: -902.388 where: short stacking energy: -396.738 Base-Backbone interact. energy: 1.457 local terms energy: -476.171816 where: bonds (distance) C4'-P energy: -96.036 bonds (distance) P-C4' energy: -108.569 flat angles C4'-P-C4' energy: -126.362 flat angles P-C4'-P energy: -58.934 tors. eta vs tors. theta energy: -86.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1167.694131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.694131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.694131 (E_RNA) where: Base-Base interactions energy: -757.863 where: short stacking energy: -353.475 Base-Backbone interact. energy: 1.118 local terms energy: -410.950079 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -87.863 flat angles C4'-P-C4' energy: -94.053 flat angles P-C4'-P energy: -55.144 tors. eta vs tors. theta energy: -67.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -826.077758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.077758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.077758 (E_RNA) where: Base-Base interactions energy: -474.871 where: short stacking energy: -244.247 Base-Backbone interact. energy: 5.835 local terms energy: -357.041063 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -104.809 flat angles C4'-P-C4' energy: -87.341 flat angles P-C4'-P energy: -53.161 tors. eta vs tors. theta energy: -17.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -769.223840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.223840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.223840 (E_RNA) where: Base-Base interactions energy: -431.507 where: short stacking energy: -217.245 Base-Backbone interact. energy: 0.059 local terms energy: -337.775748 where: bonds (distance) C4'-P energy: -95.749 bonds (distance) P-C4' energy: -98.672 flat angles C4'-P-C4' energy: -93.768 flat angles P-C4'-P energy: -31.803 tors. eta vs tors. theta energy: -17.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2239.824013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.824013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.824013 (E_RNA) where: Base-Base interactions energy: -1551.970 where: short stacking energy: -641.277 Base-Backbone interact. energy: -1.970 local terms energy: -685.883869 where: bonds (distance) C4'-P energy: -121.220 bonds (distance) P-C4' energy: -117.111 flat angles C4'-P-C4' energy: -146.331 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -190.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2178.022556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.022556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.022556 (E_RNA) where: Base-Base interactions energy: -1508.861 where: short stacking energy: -607.884 Base-Backbone interact. energy: -3.081 local terms energy: -666.080955 where: bonds (distance) C4'-P energy: -117.927 bonds (distance) P-C4' energy: -123.731 flat angles C4'-P-C4' energy: -141.200 flat angles P-C4'-P energy: -103.248 tors. eta vs tors. theta energy: -179.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1958.993109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.993109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.993109 (E_RNA) where: Base-Base interactions energy: -1354.686 where: short stacking energy: -570.789 Base-Backbone interact. energy: -1.893 local terms energy: -602.413681 where: bonds (distance) C4'-P energy: -109.265 bonds (distance) P-C4' energy: -95.691 flat angles C4'-P-C4' energy: -144.288 flat angles P-C4'-P energy: -86.762 tors. eta vs tors. theta energy: -166.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1873.105663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.105663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.105663 (E_RNA) where: Base-Base interactions energy: -1266.789 where: short stacking energy: -537.506 Base-Backbone interact. energy: -1.565 local terms energy: -604.751643 where: bonds (distance) C4'-P energy: -98.614 bonds (distance) P-C4' energy: -115.100 flat angles C4'-P-C4' energy: -135.305 flat angles P-C4'-P energy: -95.785 tors. eta vs tors. theta energy: -159.947 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: 2 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1765.604714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.604714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.604714 (E_RNA) where: Base-Base interactions energy: -1215.406 where: short stacking energy: -478.907 Base-Backbone interact. energy: -1.545 local terms energy: -548.653756 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -103.601 flat angles C4'-P-C4' energy: -115.184 flat angles P-C4'-P energy: -79.226 tors. eta vs tors. theta energy: -129.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1427.466454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.466454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.466454 (E_RNA) where: Base-Base interactions energy: -921.654 where: short stacking energy: -404.588 Base-Backbone interact. energy: 3.020 local terms energy: -508.831980 where: bonds (distance) C4'-P energy: -100.600 bonds (distance) P-C4' energy: -99.826 flat angles C4'-P-C4' energy: -123.523 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -109.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1361.225514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.225514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.225514 (E_RNA) where: Base-Base interactions energy: -884.093 where: short stacking energy: -388.655 Base-Backbone interact. energy: 4.275 local terms energy: -481.407422 where: bonds (distance) C4'-P energy: -103.985 bonds (distance) P-C4' energy: -110.238 flat angles C4'-P-C4' energy: -100.961 flat angles P-C4'-P energy: -68.856 tors. eta vs tors. theta energy: -97.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1180.774075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.774075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.774075 (E_RNA) where: Base-Base interactions energy: -734.169 where: short stacking energy: -320.845 Base-Backbone interact. energy: -1.182 local terms energy: -445.422673 where: bonds (distance) C4'-P energy: -100.147 bonds (distance) P-C4' energy: -125.020 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -56.966 tors. eta vs tors. theta energy: -62.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -883.506199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.506199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.506199 (E_RNA) where: Base-Base interactions energy: -486.929 where: short stacking energy: -253.707 Base-Backbone interact. energy: -2.494 local terms energy: -394.083132 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -104.012 flat angles C4'-P-C4' energy: -96.969 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -33.765 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: 101 Temperature: 1.350000 Total energy: -781.866774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.866774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.866774 (E_RNA) where: Base-Base interactions energy: -445.457 where: short stacking energy: -238.795 Base-Backbone interact. energy: 1.161 local terms energy: -337.571552 where: bonds (distance) C4'-P energy: -88.086 bonds (distance) P-C4' energy: -92.099 flat angles C4'-P-C4' energy: -82.455 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -20.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2245.101920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.101920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.101920 (E_RNA) where: Base-Base interactions energy: -1561.716 where: short stacking energy: -626.377 Base-Backbone interact. energy: 1.128 local terms energy: -684.514338 where: bonds (distance) C4'-P energy: -118.692 bonds (distance) P-C4' energy: -129.060 flat angles C4'-P-C4' energy: -144.401 flat angles P-C4'-P energy: -102.096 tors. eta vs tors. theta energy: -190.265 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: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2147.111414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.111414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.111414 (E_RNA) where: Base-Base interactions energy: -1499.030 where: short stacking energy: -616.390 Base-Backbone interact. energy: -2.432 local terms energy: -645.649017 where: bonds (distance) C4'-P energy: -116.182 bonds (distance) P-C4' energy: -127.661 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -178.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1984.755689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.755689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.755689 (E_RNA) where: Base-Base interactions energy: -1366.192 where: short stacking energy: -578.052 Base-Backbone interact. energy: -2.331 local terms energy: -616.232351 where: bonds (distance) C4'-P energy: -116.774 bonds (distance) P-C4' energy: -122.261 flat angles C4'-P-C4' energy: -116.288 flat angles P-C4'-P energy: -88.740 tors. eta vs tors. theta energy: -172.168 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: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1869.056262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.056262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.056262 (E_RNA) where: Base-Base interactions energy: -1257.651 where: short stacking energy: -546.944 Base-Backbone interact. energy: 4.998 local terms energy: -616.403047 where: bonds (distance) C4'-P energy: -106.686 bonds (distance) P-C4' energy: -126.635 flat angles C4'-P-C4' energy: -136.663 flat angles P-C4'-P energy: -99.163 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: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1752.001365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.001365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.001365 (E_RNA) where: Base-Base interactions energy: -1175.945 where: short stacking energy: -476.081 Base-Backbone interact. energy: -0.619 local terms energy: -575.437146 where: bonds (distance) C4'-P energy: -115.754 bonds (distance) P-C4' energy: -128.589 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -74.884 tors. eta vs tors. theta energy: -135.844 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: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1456.543808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.543808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.543808 (E_RNA) where: Base-Base interactions energy: -948.322 where: short stacking energy: -427.540 Base-Backbone interact. energy: 2.101 local terms energy: -510.322234 where: bonds (distance) C4'-P energy: -115.033 bonds (distance) P-C4' energy: -104.138 flat angles C4'-P-C4' energy: -112.754 flat angles P-C4'-P energy: -74.106 tors. eta vs tors. theta energy: -104.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1390.813082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.813082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.813082 (E_RNA) where: Base-Base interactions energy: -920.392 where: short stacking energy: -382.731 Base-Backbone interact. energy: -0.077 local terms energy: -470.344224 where: bonds (distance) C4'-P energy: -104.463 bonds (distance) P-C4' energy: -103.285 flat angles C4'-P-C4' energy: -105.106 flat angles P-C4'-P energy: -65.098 tors. eta vs tors. theta energy: -92.393 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: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1161.317978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.317978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.317978 (E_RNA) where: Base-Base interactions energy: -711.665 where: short stacking energy: -290.120 Base-Backbone interact. energy: -3.090 local terms energy: -446.562726 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -90.900 flat angles C4'-P-C4' energy: -102.422 flat angles P-C4'-P energy: -70.699 tors. eta vs tors. theta energy: -72.545 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: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -938.209310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.209310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.209310 (E_RNA) where: Base-Base interactions energy: -537.912 where: short stacking energy: -263.109 Base-Backbone interact. energy: 1.723 local terms energy: -402.020547 where: bonds (distance) C4'-P energy: -96.309 bonds (distance) P-C4' energy: -95.727 flat angles C4'-P-C4' energy: -93.434 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -41.428 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: 102 Temperature: 1.350000 Total energy: -560.150427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.150427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.150427 (E_RNA) where: Base-Base interactions energy: -232.344 where: short stacking energy: -118.889 Base-Backbone interact. energy: -0.823 local terms energy: -326.983540 where: bonds (distance) C4'-P energy: -110.474 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -74.016 flat angles P-C4'-P energy: -47.934 tors. eta vs tors. theta energy: 13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2231.769482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.769482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.769482 (E_RNA) where: Base-Base interactions energy: -1577.880 where: short stacking energy: -616.167 Base-Backbone interact. energy: 0.084 local terms energy: -653.972719 where: bonds (distance) C4'-P energy: -121.301 bonds (distance) P-C4' energy: -121.358 flat angles C4'-P-C4' energy: -136.468 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -173.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2157.442024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.442024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.442024 (E_RNA) where: Base-Base interactions energy: -1506.945 where: short stacking energy: -627.703 Base-Backbone interact. energy: -0.394 local terms energy: -650.103330 where: bonds (distance) C4'-P energy: -116.484 bonds (distance) P-C4' energy: -127.491 flat angles C4'-P-C4' energy: -127.639 flat angles P-C4'-P energy: -99.306 tors. eta vs tors. theta energy: -179.183 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: 103 Temperature: 1.000000 Total energy: -1949.573285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.573285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.573285 (E_RNA) where: Base-Base interactions energy: -1312.450 where: short stacking energy: -580.109 Base-Backbone interact. energy: -3.079 local terms energy: -634.043735 where: bonds (distance) C4'-P energy: -112.365 bonds (distance) P-C4' energy: -122.022 flat angles C4'-P-C4' energy: -141.413 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -169.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1896.839649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.839649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.839649 (E_RNA) where: Base-Base interactions energy: -1298.559 where: short stacking energy: -555.531 Base-Backbone interact. energy: -1.799 local terms energy: -596.482161 where: bonds (distance) C4'-P energy: -89.438 bonds (distance) P-C4' energy: -115.645 flat angles C4'-P-C4' energy: -128.976 flat angles P-C4'-P energy: -99.687 tors. eta vs tors. theta energy: -162.736 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: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1760.168656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.168656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.168656 (E_RNA) where: Base-Base interactions energy: -1196.275 where: short stacking energy: -499.172 Base-Backbone interact. energy: -2.863 local terms energy: -561.031016 where: bonds (distance) C4'-P energy: -115.165 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -131.491 flat angles P-C4'-P energy: -77.799 tors. eta vs tors. theta energy: -142.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1529.196428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.196428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.196428 (E_RNA) where: Base-Base interactions energy: -997.868 where: short stacking energy: -439.503 Base-Backbone interact. energy: -3.002 local terms energy: -528.326836 where: bonds (distance) C4'-P energy: -101.696 bonds (distance) P-C4' energy: -126.705 flat angles C4'-P-C4' energy: -126.943 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -98.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1352.441621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.441621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.441621 (E_RNA) where: Base-Base interactions energy: -873.416 where: short stacking energy: -372.379 Base-Backbone interact. energy: 0.159 local terms energy: -479.184558 where: bonds (distance) C4'-P energy: -95.339 bonds (distance) P-C4' energy: -105.714 flat angles C4'-P-C4' energy: -112.376 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -97.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1087.421331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.421331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.421331 (E_RNA) where: Base-Base interactions energy: -667.888 where: short stacking energy: -313.274 Base-Backbone interact. energy: 1.602 local terms energy: -421.136026 where: bonds (distance) C4'-P energy: -100.388 bonds (distance) P-C4' energy: -104.663 flat angles C4'-P-C4' energy: -101.763 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -50.462 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: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -934.962294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.962294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.962294 (E_RNA) where: Base-Base interactions energy: -566.320 where: short stacking energy: -292.713 Base-Backbone interact. energy: 0.074 local terms energy: -368.715794 where: bonds (distance) C4'-P energy: -90.435 bonds (distance) P-C4' energy: -119.050 flat angles C4'-P-C4' energy: -84.149 flat angles P-C4'-P energy: -49.916 tors. eta vs tors. theta energy: -25.165 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: 103 Temperature: 1.350000 Total energy: -566.547038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.547038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.547038 (E_RNA) where: Base-Base interactions energy: -239.776 where: short stacking energy: -178.409 Base-Backbone interact. energy: 1.360 local terms energy: -328.130881 where: bonds (distance) C4'-P energy: -82.837 bonds (distance) P-C4' energy: -96.350 flat angles C4'-P-C4' energy: -86.525 flat angles P-C4'-P energy: -47.357 tors. eta vs tors. theta energy: -15.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2257.116900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.116900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.116900 (E_RNA) where: Base-Base interactions energy: -1572.198 where: short stacking energy: -634.498 Base-Backbone interact. energy: -1.078 local terms energy: -683.840958 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -133.280 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -99.368 tors. eta vs tors. theta energy: -190.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2164.850982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.850982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.850982 (E_RNA) where: Base-Base interactions energy: -1511.298 where: short stacking energy: -580.665 Base-Backbone interact. energy: -0.670 local terms energy: -652.883794 where: bonds (distance) C4'-P energy: -115.805 bonds (distance) P-C4' energy: -125.914 flat angles C4'-P-C4' energy: -127.272 flat angles P-C4'-P energy: -96.592 tors. eta vs tors. theta energy: -187.300 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: 104 Temperature: 1.000000 Total energy: -1993.678983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.678983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.678983 (E_RNA) where: Base-Base interactions energy: -1369.825 where: short stacking energy: -600.349 Base-Backbone interact. energy: -2.461 local terms energy: -621.393465 where: bonds (distance) C4'-P energy: -106.018 bonds (distance) P-C4' energy: -116.026 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -98.776 tors. eta vs tors. theta energy: -177.593 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: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1882.165175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.165175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.165175 (E_RNA) where: Base-Base interactions energy: -1267.156 where: short stacking energy: -533.139 Base-Backbone interact. energy: 0.198 local terms energy: -615.207069 where: bonds (distance) C4'-P energy: -107.012 bonds (distance) P-C4' energy: -123.771 flat angles C4'-P-C4' energy: -143.932 flat angles P-C4'-P energy: -87.341 tors. eta vs tors. theta energy: -153.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1772.157893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.157893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.157893 (E_RNA) where: Base-Base interactions energy: -1171.508 where: short stacking energy: -503.191 Base-Backbone interact. energy: -0.775 local terms energy: -599.875242 where: bonds (distance) C4'-P energy: -101.030 bonds (distance) P-C4' energy: -122.557 flat angles C4'-P-C4' energy: -142.274 flat angles P-C4'-P energy: -91.823 tors. eta vs tors. theta energy: -142.192 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: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1512.506870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.506870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.506870 (E_RNA) where: Base-Base interactions energy: -1022.437 where: short stacking energy: -446.542 Base-Backbone interact. energy: -1.978 local terms energy: -488.091764 where: bonds (distance) C4'-P energy: -100.104 bonds (distance) P-C4' energy: -100.426 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -104.386 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: 7, replica: 4 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1266.663419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.663419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.663419 (E_RNA) where: Base-Base interactions energy: -795.869 where: short stacking energy: -367.571 Base-Backbone interact. energy: 0.019 local terms energy: -470.813691 where: bonds (distance) C4'-P energy: -113.119 bonds (distance) P-C4' energy: -112.140 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -71.727 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: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1036.658275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.658275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.658275 (E_RNA) where: Base-Base interactions energy: -626.661 where: short stacking energy: -305.303 Base-Backbone interact. energy: 8.060 local terms energy: -418.057506 where: bonds (distance) C4'-P energy: -95.293 bonds (distance) P-C4' energy: -101.268 flat angles C4'-P-C4' energy: -97.275 flat angles P-C4'-P energy: -70.254 tors. eta vs tors. theta energy: -53.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -933.621204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.621204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.621204 (E_RNA) where: Base-Base interactions energy: -525.473 where: short stacking energy: -249.249 Base-Backbone interact. energy: -3.386 local terms energy: -404.762120 where: bonds (distance) C4'-P energy: -101.877 bonds (distance) P-C4' energy: -105.007 flat angles C4'-P-C4' energy: -93.126 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -31.609 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: 104 Temperature: 1.350000 Total energy: -590.752222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.752222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.752222 (E_RNA) where: Base-Base interactions energy: -255.879 where: short stacking energy: -187.274 Base-Backbone interact. energy: 4.558 local terms energy: -339.430351 where: bonds (distance) C4'-P energy: -95.644 bonds (distance) P-C4' energy: -105.655 flat angles C4'-P-C4' energy: -84.576 flat angles P-C4'-P energy: -39.890 tors. eta vs tors. theta energy: -13.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2223.477383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.477383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.477383 (E_RNA) where: Base-Base interactions energy: -1543.999 where: short stacking energy: -623.942 Base-Backbone interact. energy: 1.260 local terms energy: -680.738717 where: bonds (distance) C4'-P energy: -119.389 bonds (distance) P-C4' energy: -128.391 flat angles C4'-P-C4' energy: -152.102 flat angles P-C4'-P energy: -96.467 tors. eta vs tors. theta energy: -184.389 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: 2, replica: 10 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2125.576977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.576977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.576977 (E_RNA) where: Base-Base interactions energy: -1472.855 where: short stacking energy: -603.076 Base-Backbone interact. energy: -3.508 local terms energy: -649.213867 where: bonds (distance) C4'-P energy: -121.820 bonds (distance) P-C4' energy: -134.812 flat angles C4'-P-C4' energy: -136.583 flat angles P-C4'-P energy: -82.199 tors. eta vs tors. theta energy: -173.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1994.366174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.366174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.366174 (E_RNA) where: Base-Base interactions energy: -1377.079 where: short stacking energy: -577.899 Base-Backbone interact. energy: 0.569 local terms energy: -617.855769 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -114.312 flat angles C4'-P-C4' energy: -133.159 flat angles P-C4'-P energy: -79.490 tors. eta vs tors. theta energy: -175.295 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: 8 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1823.228908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.228908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.228908 (E_RNA) where: Base-Base interactions energy: -1240.716 where: short stacking energy: -518.883 Base-Backbone interact. energy: 0.259 local terms energy: -582.771469 where: bonds (distance) C4'-P energy: -103.024 bonds (distance) P-C4' energy: -104.073 flat angles C4'-P-C4' energy: -135.884 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -143.312 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: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1791.207011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.207011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.207011 (E_RNA) where: Base-Base interactions energy: -1192.771 where: short stacking energy: -511.805 Base-Backbone interact. energy: -1.212 local terms energy: -597.224562 where: bonds (distance) C4'-P energy: -115.887 bonds (distance) P-C4' energy: -112.738 flat angles C4'-P-C4' energy: -124.217 flat angles P-C4'-P energy: -87.242 tors. eta vs tors. theta energy: -157.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1488.989370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.989370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.989370 (E_RNA) where: Base-Base interactions energy: -973.449 where: short stacking energy: -421.028 Base-Backbone interact. energy: 0.917 local terms energy: -516.457446 where: bonds (distance) C4'-P energy: -101.931 bonds (distance) P-C4' energy: -115.673 flat angles C4'-P-C4' energy: -129.534 flat angles P-C4'-P energy: -74.091 tors. eta vs tors. theta energy: -95.227 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: 105 Temperature: 1.200000 Total energy: -1299.578234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.578234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.578234 (E_RNA) where: Base-Base interactions energy: -799.129 where: short stacking energy: -376.073 Base-Backbone interact. energy: -1.085 local terms energy: -499.364713 where: bonds (distance) C4'-P energy: -92.624 bonds (distance) P-C4' energy: -109.207 flat angles C4'-P-C4' energy: -117.583 flat angles P-C4'-P energy: -75.781 tors. eta vs tors. theta energy: -104.170 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: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1001.552977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.552977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.552977 (E_RNA) where: Base-Base interactions energy: -579.628 where: short stacking energy: -297.887 Base-Backbone interact. energy: 0.585 local terms energy: -422.510504 where: bonds (distance) C4'-P energy: -110.070 bonds (distance) P-C4' energy: -108.734 flat angles C4'-P-C4' energy: -99.837 flat angles P-C4'-P energy: -64.727 tors. eta vs tors. theta energy: -39.143 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: 1 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -888.772976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.772976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.772976 (E_RNA) where: Base-Base interactions energy: -517.333 where: short stacking energy: -243.281 Base-Backbone interact. energy: -1.433 local terms energy: -370.006466 where: bonds (distance) C4'-P energy: -89.487 bonds (distance) P-C4' energy: -103.964 flat angles C4'-P-C4' energy: -99.014 flat angles P-C4'-P energy: -56.754 tors. eta vs tors. theta energy: -20.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -573.957929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.957929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.957929 (E_RNA) where: Base-Base interactions energy: -213.110 where: short stacking energy: -143.144 Base-Backbone interact. energy: -0.154 local terms energy: -360.693941 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -99.208 flat angles C4'-P-C4' energy: -101.798 flat angles P-C4'-P energy: -64.113 tors. eta vs tors. theta energy: 9.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2250.130290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.130290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.130290 (E_RNA) where: Base-Base interactions energy: -1568.242 where: short stacking energy: -638.899 Base-Backbone interact. energy: -1.788 local terms energy: -680.099939 where: bonds (distance) C4'-P energy: -131.664 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -149.551 flat angles P-C4'-P energy: -89.217 tors. eta vs tors. theta energy: -184.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2122.401887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.401887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.401887 (E_RNA) where: Base-Base interactions energy: -1473.161 where: short stacking energy: -607.196 Base-Backbone interact. energy: -2.946 local terms energy: -646.295274 where: bonds (distance) C4'-P energy: -119.718 bonds (distance) P-C4' energy: -120.301 flat angles C4'-P-C4' energy: -129.035 flat angles P-C4'-P energy: -99.910 tors. eta vs tors. theta energy: -177.332 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: 106 Temperature: 1.000000 Total energy: -2012.818121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.818121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.818121 (E_RNA) where: Base-Base interactions energy: -1359.972 where: short stacking energy: -582.261 Base-Backbone interact. energy: -2.330 local terms energy: -650.515908 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -122.715 flat angles C4'-P-C4' energy: -139.075 flat angles P-C4'-P energy: -88.949 tors. eta vs tors. theta energy: -175.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1856.598689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.598689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.598689 (E_RNA) where: Base-Base interactions energy: -1266.627 where: short stacking energy: -560.912 Base-Backbone interact. energy: -1.734 local terms energy: -588.237778 where: bonds (distance) C4'-P energy: -95.740 bonds (distance) P-C4' energy: -119.176 flat angles C4'-P-C4' energy: -132.330 flat angles P-C4'-P energy: -85.908 tors. eta vs tors. theta energy: -155.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1773.804737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.804737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.804737 (E_RNA) where: Base-Base interactions energy: -1224.336 where: short stacking energy: -515.522 Base-Backbone interact. energy: -0.640 local terms energy: -548.828937 where: bonds (distance) C4'-P energy: -97.580 bonds (distance) P-C4' energy: -100.927 flat angles C4'-P-C4' energy: -124.196 flat angles P-C4'-P energy: -79.811 tors. eta vs tors. theta energy: -146.314 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: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1508.526728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.526728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.526728 (E_RNA) where: Base-Base interactions energy: -981.706 where: short stacking energy: -416.130 Base-Backbone interact. energy: -1.512 local terms energy: -525.308260 where: bonds (distance) C4'-P energy: -114.910 bonds (distance) P-C4' energy: -113.283 flat angles C4'-P-C4' energy: -121.624 flat angles P-C4'-P energy: -74.326 tors. eta vs tors. theta energy: -101.165 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: 4 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1309.831683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.831683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.831683 (E_RNA) where: Base-Base interactions energy: -838.464 where: short stacking energy: -367.786 Base-Backbone interact. energy: -3.859 local terms energy: -467.508616 where: bonds (distance) C4'-P energy: -89.460 bonds (distance) P-C4' energy: -126.435 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -87.212 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: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1004.203348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.203348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.203348 (E_RNA) where: Base-Base interactions energy: -583.487 where: short stacking energy: -303.263 Base-Backbone interact. energy: 2.558 local terms energy: -423.273853 where: bonds (distance) C4'-P energy: -91.066 bonds (distance) P-C4' energy: -103.209 flat angles C4'-P-C4' energy: -107.756 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: -62.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -935.775911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.775911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.775911 (E_RNA) where: Base-Base interactions energy: -527.618 where: short stacking energy: -246.893 Base-Backbone interact. energy: 0.222 local terms energy: -408.379464 where: bonds (distance) C4'-P energy: -103.407 bonds (distance) P-C4' energy: -110.030 flat angles C4'-P-C4' energy: -96.207 flat angles P-C4'-P energy: -54.931 tors. eta vs tors. theta energy: -43.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -524.318989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.318989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.318989 (E_RNA) where: Base-Base interactions energy: -217.212 where: short stacking energy: -146.655 Base-Backbone interact. energy: 0.769 local terms energy: -307.875822 where: bonds (distance) C4'-P energy: -104.837 bonds (distance) P-C4' energy: -96.506 flat angles C4'-P-C4' energy: -86.303 flat angles P-C4'-P energy: -54.306 tors. eta vs tors. theta energy: 34.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2248.035183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.035183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.035183 (E_RNA) where: Base-Base interactions energy: -1578.970 where: short stacking energy: -641.811 Base-Backbone interact. energy: 1.147 local terms energy: -670.212981 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -111.507 flat angles C4'-P-C4' energy: -151.741 flat angles P-C4'-P energy: -98.262 tors. eta vs tors. theta energy: -193.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2140.564022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.564022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.564022 (E_RNA) where: Base-Base interactions energy: -1497.792 where: short stacking energy: -596.986 Base-Backbone interact. energy: 0.147 local terms energy: -642.918505 where: bonds (distance) C4'-P energy: -121.612 bonds (distance) P-C4' energy: -113.420 flat angles C4'-P-C4' energy: -136.382 flat angles P-C4'-P energy: -97.386 tors. eta vs tors. theta energy: -174.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2033.087971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.087971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.087971 (E_RNA) where: Base-Base interactions energy: -1395.247 where: short stacking energy: -595.132 Base-Backbone interact. energy: -0.586 local terms energy: -637.255085 where: bonds (distance) C4'-P energy: -120.119 bonds (distance) P-C4' energy: -116.609 flat angles C4'-P-C4' energy: -121.259 flat angles P-C4'-P energy: -93.986 tors. eta vs tors. theta energy: -185.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1836.449119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.449119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.449119 (E_RNA) where: Base-Base interactions energy: -1256.263 where: short stacking energy: -534.352 Base-Backbone interact. energy: -0.726 local terms energy: -579.460648 where: bonds (distance) C4'-P energy: -106.681 bonds (distance) P-C4' energy: -109.143 flat angles C4'-P-C4' energy: -121.212 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -151.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1787.485235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.485235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.485235 (E_RNA) where: Base-Base interactions energy: -1216.006 where: short stacking energy: -531.863 Base-Backbone interact. energy: 9.098 local terms energy: -580.577611 where: bonds (distance) C4'-P energy: -106.524 bonds (distance) P-C4' energy: -120.160 flat angles C4'-P-C4' energy: -121.203 flat angles P-C4'-P energy: -75.239 tors. eta vs tors. theta energy: -157.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1382.559502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.559502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.559502 (E_RNA) where: Base-Base interactions energy: -873.757 where: short stacking energy: -389.528 Base-Backbone interact. energy: -3.469 local terms energy: -505.333520 where: bonds (distance) C4'-P energy: -95.628 bonds (distance) P-C4' energy: -107.234 flat angles C4'-P-C4' energy: -120.672 flat angles P-C4'-P energy: -79.898 tors. eta vs tors. theta energy: -101.902 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: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1403.158585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.158585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.158585 (E_RNA) where: Base-Base interactions energy: -895.587 where: short stacking energy: -417.498 Base-Backbone interact. energy: -1.290 local terms energy: -506.280884 where: bonds (distance) C4'-P energy: -108.230 bonds (distance) P-C4' energy: -99.787 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -76.360 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: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -987.265639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.265639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.265639 (E_RNA) where: Base-Base interactions energy: -608.058 where: short stacking energy: -289.944 Base-Backbone interact. energy: -1.216 local terms energy: -377.992099 where: bonds (distance) C4'-P energy: -88.664 bonds (distance) P-C4' energy: -96.443 flat angles C4'-P-C4' energy: -86.705 flat angles P-C4'-P energy: -57.071 tors. eta vs tors. theta energy: -49.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -956.282673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.282673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.282673 (E_RNA) where: Base-Base interactions energy: -555.801 where: short stacking energy: -259.556 Base-Backbone interact. energy: 0.906 local terms energy: -401.387971 where: bonds (distance) C4'-P energy: -102.538 bonds (distance) P-C4' energy: -115.690 flat angles C4'-P-C4' energy: -83.948 flat angles P-C4'-P energy: -65.784 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: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -488.711556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.711556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.711556 (E_RNA) where: Base-Base interactions energy: -170.699 where: short stacking energy: -115.690 Base-Backbone interact. energy: -2.260 local terms energy: -315.752435 where: bonds (distance) C4'-P energy: -102.059 bonds (distance) P-C4' energy: -102.552 flat angles C4'-P-C4' energy: -97.828 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: 36.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2209.336691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.336691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.336691 (E_RNA) where: Base-Base interactions energy: -1544.764 where: short stacking energy: -637.198 Base-Backbone interact. energy: -2.871 local terms energy: -661.701746 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -117.158 flat angles C4'-P-C4' energy: -148.352 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -185.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2161.277217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.277217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.277217 (E_RNA) where: Base-Base interactions energy: -1494.713 where: short stacking energy: -595.480 Base-Backbone interact. energy: 0.330 local terms energy: -666.894622 where: bonds (distance) C4'-P energy: -117.412 bonds (distance) P-C4' energy: -140.109 flat angles C4'-P-C4' energy: -135.715 flat angles P-C4'-P energy: -90.086 tors. eta vs tors. theta energy: -183.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1996.557721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.557721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.557721 (E_RNA) where: Base-Base interactions energy: -1359.215 where: short stacking energy: -577.455 Base-Backbone interact. energy: -2.197 local terms energy: -635.145708 where: bonds (distance) C4'-P energy: -120.501 bonds (distance) P-C4' energy: -117.869 flat angles C4'-P-C4' energy: -127.563 flat angles P-C4'-P energy: -84.627 tors. eta vs tors. theta energy: -184.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1858.565963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.565963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.565963 (E_RNA) where: Base-Base interactions energy: -1262.736 where: short stacking energy: -516.718 Base-Backbone interact. energy: -2.462 local terms energy: -593.368302 where: bonds (distance) C4'-P energy: -121.463 bonds (distance) P-C4' energy: -121.702 flat angles C4'-P-C4' energy: -128.587 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -149.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1774.563781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.563781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.563781 (E_RNA) where: Base-Base interactions energy: -1181.600 where: short stacking energy: -523.474 Base-Backbone interact. energy: -0.315 local terms energy: -592.649039 where: bonds (distance) C4'-P energy: -100.499 bonds (distance) P-C4' energy: -119.928 flat angles C4'-P-C4' energy: -129.869 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -156.905 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: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1313.374903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.374903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.374903 (E_RNA) where: Base-Base interactions energy: -789.752 where: short stacking energy: -396.015 Base-Backbone interact. energy: 5.880 local terms energy: -529.503292 where: bonds (distance) C4'-P energy: -112.568 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -112.570 flat angles P-C4'-P energy: -86.527 tors. eta vs tors. theta energy: -94.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1418.013893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.013893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.013893 (E_RNA) where: Base-Base interactions energy: -929.356 where: short stacking energy: -404.697 Base-Backbone interact. energy: 1.477 local terms energy: -490.135017 where: bonds (distance) C4'-P energy: -95.480 bonds (distance) P-C4' energy: -105.610 flat angles C4'-P-C4' energy: -125.301 flat angles P-C4'-P energy: -77.642 tors. eta vs tors. theta energy: -86.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1006.297691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.297691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.297691 (E_RNA) where: Base-Base interactions energy: -603.949 where: short stacking energy: -282.877 Base-Backbone interact. energy: 2.884 local terms energy: -405.232777 where: bonds (distance) C4'-P energy: -94.095 bonds (distance) P-C4' energy: -110.011 flat angles C4'-P-C4' energy: -88.060 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: -47.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -929.164643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.164643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.164643 (E_RNA) where: Base-Base interactions energy: -529.214 where: short stacking energy: -264.719 Base-Backbone interact. energy: 1.184 local terms energy: -401.135248 where: bonds (distance) C4'-P energy: -99.766 bonds (distance) P-C4' energy: -90.360 flat angles C4'-P-C4' energy: -90.351 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -48.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -473.562441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.562441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.562441 (E_RNA) where: Base-Base interactions energy: -181.837 where: short stacking energy: -127.804 Base-Backbone interact. energy: 6.562 local terms energy: -298.287907 where: bonds (distance) C4'-P energy: -99.543 bonds (distance) P-C4' energy: -99.535 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -47.373 tors. eta vs tors. theta energy: 13.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2232.051069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.051069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.051069 (E_RNA) where: Base-Base interactions energy: -1564.789 where: short stacking energy: -654.950 Base-Backbone interact. energy: -0.128 local terms energy: -667.133456 where: bonds (distance) C4'-P energy: -117.743 bonds (distance) P-C4' energy: -116.361 flat angles C4'-P-C4' energy: -153.316 flat angles P-C4'-P energy: -90.718 tors. eta vs tors. theta energy: -188.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2161.397293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.397293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.397293 (E_RNA) where: Base-Base interactions energy: -1535.092 where: short stacking energy: -600.131 Base-Backbone interact. energy: -1.193 local terms energy: -625.112961 where: bonds (distance) C4'-P energy: -106.734 bonds (distance) P-C4' energy: -124.885 flat angles C4'-P-C4' energy: -130.033 flat angles P-C4'-P energy: -89.167 tors. eta vs tors. theta energy: -174.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1990.291059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.291059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.291059 (E_RNA) where: Base-Base interactions energy: -1364.511 where: short stacking energy: -596.548 Base-Backbone interact. energy: -1.820 local terms energy: -623.960316 where: bonds (distance) C4'-P energy: -118.376 bonds (distance) P-C4' energy: -105.823 flat angles C4'-P-C4' energy: -134.721 flat angles P-C4'-P energy: -86.389 tors. eta vs tors. theta energy: -178.652 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: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1887.168819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.168819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.168819 (E_RNA) where: Base-Base interactions energy: -1310.624 where: short stacking energy: -553.979 Base-Backbone interact. energy: -0.876 local terms energy: -575.669144 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -104.171 flat angles C4'-P-C4' energy: -134.750 flat angles P-C4'-P energy: -69.631 tors. eta vs tors. theta energy: -167.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1736.362342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.362342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.362342 (E_RNA) where: Base-Base interactions energy: -1201.030 where: short stacking energy: -520.895 Base-Backbone interact. energy: -0.086 local terms energy: -535.246736 where: bonds (distance) C4'-P energy: -100.049 bonds (distance) P-C4' energy: -102.438 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -86.040 tors. eta vs tors. theta energy: -139.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1541.150115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.150115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.150115 (E_RNA) where: Base-Base interactions energy: -1031.657 where: short stacking energy: -449.490 Base-Backbone interact. energy: 6.925 local terms energy: -516.418150 where: bonds (distance) C4'-P energy: -96.979 bonds (distance) P-C4' energy: -100.449 flat angles C4'-P-C4' energy: -125.427 flat angles P-C4'-P energy: -75.301 tors. eta vs tors. theta energy: -118.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1282.091429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.091429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.091429 (E_RNA) where: Base-Base interactions energy: -790.194 where: short stacking energy: -368.390 Base-Backbone interact. energy: 0.346 local terms energy: -492.243816 where: bonds (distance) C4'-P energy: -104.607 bonds (distance) P-C4' energy: -114.764 flat angles C4'-P-C4' energy: -113.615 flat angles P-C4'-P energy: -60.081 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: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1042.584182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.584182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.584182 (E_RNA) where: Base-Base interactions energy: -602.769 where: short stacking energy: -297.718 Base-Backbone interact. energy: -2.153 local terms energy: -437.662072 where: bonds (distance) C4'-P energy: -103.412 bonds (distance) P-C4' energy: -114.557 flat angles C4'-P-C4' energy: -97.492 flat angles P-C4'-P energy: -79.161 tors. eta vs tors. theta energy: -43.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -904.567640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.567640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.567640 (E_RNA) where: Base-Base interactions energy: -514.157 where: short stacking energy: -261.592 Base-Backbone interact. energy: 3.990 local terms energy: -394.400476 where: bonds (distance) C4'-P energy: -102.509 bonds (distance) P-C4' energy: -100.920 flat angles C4'-P-C4' energy: -99.438 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: -37.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -549.771656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.771656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.771656 (E_RNA) where: Base-Base interactions energy: -252.912 where: short stacking energy: -163.690 Base-Backbone interact. energy: 0.638 local terms energy: -297.497810 where: bonds (distance) C4'-P energy: -95.607 bonds (distance) P-C4' energy: -102.950 flat angles C4'-P-C4' energy: -85.214 flat angles P-C4'-P energy: -44.441 tors. eta vs tors. theta energy: 30.715 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: 6 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2252.244379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.244379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.244379 (E_RNA) where: Base-Base interactions energy: -1554.704 where: short stacking energy: -645.992 Base-Backbone interact. energy: -1.439 local terms energy: -696.101877 where: bonds (distance) C4'-P energy: -122.157 bonds (distance) P-C4' energy: -128.867 flat angles C4'-P-C4' energy: -149.071 flat angles P-C4'-P energy: -90.818 tors. eta vs tors. theta energy: -205.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2161.295472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.295472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.295472 (E_RNA) where: Base-Base interactions energy: -1515.012 where: short stacking energy: -614.384 Base-Backbone interact. energy: -3.590 local terms energy: -642.693474 where: bonds (distance) C4'-P energy: -114.388 bonds (distance) P-C4' energy: -125.841 flat angles C4'-P-C4' energy: -125.861 flat angles P-C4'-P energy: -92.640 tors. eta vs tors. theta energy: -183.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2019.630825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.630825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.630825 (E_RNA) where: Base-Base interactions energy: -1417.836 where: short stacking energy: -612.318 Base-Backbone interact. energy: -0.619 local terms energy: -601.176270 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -117.200 flat angles C4'-P-C4' energy: -123.281 flat angles P-C4'-P energy: -79.574 tors. eta vs tors. theta energy: -179.940 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: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1889.775368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.775368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.775368 (E_RNA) where: Base-Base interactions energy: -1303.652 where: short stacking energy: -555.636 Base-Backbone interact. energy: -1.152 local terms energy: -584.971170 where: bonds (distance) C4'-P energy: -110.302 bonds (distance) P-C4' energy: -111.485 flat angles C4'-P-C4' energy: -123.524 flat angles P-C4'-P energy: -76.576 tors. eta vs tors. theta energy: -163.085 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: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1768.874306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.874306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.874306 (E_RNA) where: Base-Base interactions energy: -1203.707 where: short stacking energy: -504.532 Base-Backbone interact. energy: -2.400 local terms energy: -562.767253 where: bonds (distance) C4'-P energy: -100.233 bonds (distance) P-C4' energy: -109.792 flat angles C4'-P-C4' energy: -130.424 flat angles P-C4'-P energy: -78.310 tors. eta vs tors. theta energy: -144.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1524.499019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.499019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.499019 (E_RNA) where: Base-Base interactions energy: -1004.704 where: short stacking energy: -433.380 Base-Backbone interact. energy: -2.869 local terms energy: -516.925919 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -96.463 flat angles C4'-P-C4' energy: -126.200 flat angles P-C4'-P energy: -86.085 tors. eta vs tors. theta energy: -109.885 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: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1284.313490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.313490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.313490 (E_RNA) where: Base-Base interactions energy: -794.686 where: short stacking energy: -367.709 Base-Backbone interact. energy: -2.360 local terms energy: -487.267725 where: bonds (distance) C4'-P energy: -114.476 bonds (distance) P-C4' energy: -114.004 flat angles C4'-P-C4' energy: -114.314 flat angles P-C4'-P energy: -61.534 tors. eta vs tors. theta energy: -82.940 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -956.722126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.722126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.722126 (E_RNA) where: Base-Base interactions energy: -567.383 where: short stacking energy: -277.544 Base-Backbone interact. energy: 5.462 local terms energy: -394.800731 where: bonds (distance) C4'-P energy: -109.368 bonds (distance) P-C4' energy: -84.218 flat angles C4'-P-C4' energy: -98.034 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -31.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -951.424261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.424261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.424261 (E_RNA) where: Base-Base interactions energy: -570.600 where: short stacking energy: -262.765 Base-Backbone interact. energy: 1.237 local terms energy: -382.060887 where: bonds (distance) C4'-P energy: -94.468 bonds (distance) P-C4' energy: -104.506 flat angles C4'-P-C4' energy: -90.468 flat angles P-C4'-P energy: -60.155 tors. eta vs tors. theta energy: -32.464 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: 110 Temperature: 1.350000 Total energy: -615.030111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.030111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.030111 (E_RNA) where: Base-Base interactions energy: -302.447 where: short stacking energy: -182.801 Base-Backbone interact. energy: 9.448 local terms energy: -322.030807 where: bonds (distance) C4'-P energy: -88.781 bonds (distance) P-C4' energy: -93.860 flat angles C4'-P-C4' energy: -77.639 flat angles P-C4'-P energy: -52.990 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2237.717395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.717395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.717395 (E_RNA) where: Base-Base interactions energy: -1552.701 where: short stacking energy: -654.160 Base-Backbone interact. energy: -0.592 local terms energy: -684.424530 where: bonds (distance) C4'-P energy: -122.370 bonds (distance) P-C4' energy: -121.583 flat angles C4'-P-C4' energy: -142.416 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -195.092 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: 2, replica: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2159.751273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.751273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.751273 (E_RNA) where: Base-Base interactions energy: -1531.677 where: short stacking energy: -629.799 Base-Backbone interact. energy: -5.412 local terms energy: -622.661650 where: bonds (distance) C4'-P energy: -108.702 bonds (distance) P-C4' energy: -112.268 flat angles C4'-P-C4' energy: -136.049 flat angles P-C4'-P energy: -81.893 tors. eta vs tors. theta energy: -183.750 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: 111 Temperature: 1.000000 Total energy: -2028.126299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.126299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.126299 (E_RNA) where: Base-Base interactions energy: -1371.842 where: short stacking energy: -577.632 Base-Backbone interact. energy: -0.761 local terms energy: -655.523238 where: bonds (distance) C4'-P energy: -124.393 bonds (distance) P-C4' energy: -123.501 flat angles C4'-P-C4' energy: -134.789 flat angles P-C4'-P energy: -96.224 tors. eta vs tors. theta energy: -176.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1885.020954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.020954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.020954 (E_RNA) where: Base-Base interactions energy: -1286.302 where: short stacking energy: -527.560 Base-Backbone interact. energy: 0.358 local terms energy: -599.077103 where: bonds (distance) C4'-P energy: -125.564 bonds (distance) P-C4' energy: -105.168 flat angles C4'-P-C4' energy: -133.578 flat angles P-C4'-P energy: -78.616 tors. eta vs tors. theta energy: -156.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1736.170508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.170508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.170508 (E_RNA) where: Base-Base interactions energy: -1208.355 where: short stacking energy: -481.058 Base-Backbone interact. energy: -1.867 local terms energy: -525.948074 where: bonds (distance) C4'-P energy: -100.267 bonds (distance) P-C4' energy: -98.917 flat angles C4'-P-C4' energy: -104.044 flat angles P-C4'-P energy: -85.393 tors. eta vs tors. theta energy: -137.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1542.673465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.673465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.673465 (E_RNA) where: Base-Base interactions energy: -1008.776 where: short stacking energy: -442.941 Base-Backbone interact. energy: 1.255 local terms energy: -535.151824 where: bonds (distance) C4'-P energy: -118.846 bonds (distance) P-C4' energy: -98.476 flat angles C4'-P-C4' energy: -123.815 flat angles P-C4'-P energy: -73.291 tors. eta vs tors. theta energy: -120.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1249.759095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.759095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.759095 (E_RNA) where: Base-Base interactions energy: -766.761 where: short stacking energy: -361.173 Base-Backbone interact. energy: -0.816 local terms energy: -482.182701 where: bonds (distance) C4'-P energy: -96.685 bonds (distance) P-C4' energy: -110.525 flat angles C4'-P-C4' energy: -111.209 flat angles P-C4'-P energy: -80.091 tors. eta vs tors. theta energy: -83.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1029.019209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.019209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.019209 (E_RNA) where: Base-Base interactions energy: -598.317 where: short stacking energy: -289.754 Base-Backbone interact. energy: -0.788 local terms energy: -429.913786 where: bonds (distance) C4'-P energy: -103.966 bonds (distance) P-C4' energy: -106.660 flat angles C4'-P-C4' energy: -99.368 flat angles P-C4'-P energy: -72.773 tors. eta vs tors. theta energy: -47.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -944.612992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.612992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.612992 (E_RNA) where: Base-Base interactions energy: -551.698 where: short stacking energy: -266.421 Base-Backbone interact. energy: 6.503 local terms energy: -399.418183 where: bonds (distance) C4'-P energy: -99.776 bonds (distance) P-C4' energy: -103.097 flat angles C4'-P-C4' energy: -111.023 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -39.792 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: 111 Temperature: 1.350000 Total energy: -643.836638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.836638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.836638 (E_RNA) where: Base-Base interactions energy: -339.001 where: short stacking energy: -178.635 Base-Backbone interact. energy: 4.585 local terms energy: -309.419893 where: bonds (distance) C4'-P energy: -93.608 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -81.392 flat angles P-C4'-P energy: -58.050 tors. eta vs tors. theta energy: 11.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2242.204271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.204271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.204271 (E_RNA) where: Base-Base interactions energy: -1543.337 where: short stacking energy: -632.566 Base-Backbone interact. energy: -1.436 local terms energy: -697.431369 where: bonds (distance) C4'-P energy: -126.446 bonds (distance) P-C4' energy: -126.450 flat angles C4'-P-C4' energy: -141.245 flat angles P-C4'-P energy: -95.913 tors. eta vs tors. theta energy: -207.377 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: 10 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2156.233801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.233801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.233801 (E_RNA) where: Base-Base interactions energy: -1512.570 where: short stacking energy: -627.043 Base-Backbone interact. energy: -5.617 local terms energy: -638.046883 where: bonds (distance) C4'-P energy: -127.280 bonds (distance) P-C4' energy: -113.171 flat angles C4'-P-C4' energy: -133.216 flat angles P-C4'-P energy: -85.078 tors. eta vs tors. theta energy: -179.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1963.560812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.560812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.560812 (E_RNA) where: Base-Base interactions energy: -1359.350 where: short stacking energy: -572.977 Base-Backbone interact. energy: -2.303 local terms energy: -601.907836 where: bonds (distance) C4'-P energy: -104.651 bonds (distance) P-C4' energy: -107.397 flat angles C4'-P-C4' energy: -145.662 flat angles P-C4'-P energy: -84.988 tors. eta vs tors. theta energy: -159.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1984.543879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.543879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.543879 (E_RNA) where: Base-Base interactions energy: -1368.431 where: short stacking energy: -567.144 Base-Backbone interact. energy: -1.287 local terms energy: -614.825946 where: bonds (distance) C4'-P energy: -108.917 bonds (distance) P-C4' energy: -115.153 flat angles C4'-P-C4' energy: -131.692 flat angles P-C4'-P energy: -79.040 tors. eta vs tors. theta energy: -180.024 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: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1777.128171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.128171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.128171 (E_RNA) where: Base-Base interactions energy: -1205.153 where: short stacking energy: -516.795 Base-Backbone interact. energy: 0.727 local terms energy: -572.702192 where: bonds (distance) C4'-P energy: -113.277 bonds (distance) P-C4' energy: -122.309 flat angles C4'-P-C4' energy: -110.539 flat angles P-C4'-P energy: -77.960 tors. eta vs tors. theta energy: -148.618 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: 112 Temperature: 1.150000 Total energy: -1574.027238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.027238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.027238 (E_RNA) where: Base-Base interactions energy: -1047.567 where: short stacking energy: -450.905 Base-Backbone interact. energy: 1.417 local terms energy: -527.877340 where: bonds (distance) C4'-P energy: -106.915 bonds (distance) P-C4' energy: -103.166 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -83.360 tors. eta vs tors. theta energy: -122.523 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: 4 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1269.200739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.200739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.200739 (E_RNA) where: Base-Base interactions energy: -784.770 where: short stacking energy: -383.184 Base-Backbone interact. energy: -1.207 local terms energy: -483.223784 where: bonds (distance) C4'-P energy: -100.139 bonds (distance) P-C4' energy: -115.222 flat angles C4'-P-C4' energy: -112.437 flat angles P-C4'-P energy: -57.366 tors. eta vs tors. theta energy: -98.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1034.407384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.407384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.407384 (E_RNA) where: Base-Base interactions energy: -616.031 where: short stacking energy: -310.244 Base-Backbone interact. energy: -0.367 local terms energy: -418.009580 where: bonds (distance) C4'-P energy: -88.993 bonds (distance) P-C4' energy: -110.901 flat angles C4'-P-C4' energy: -100.678 flat angles P-C4'-P energy: -67.249 tors. eta vs tors. theta energy: -50.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -899.588346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.588346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.588346 (E_RNA) where: Base-Base interactions energy: -520.208 where: short stacking energy: -256.319 Base-Backbone interact. energy: -0.221 local terms energy: -379.159211 where: bonds (distance) C4'-P energy: -107.432 bonds (distance) P-C4' energy: -82.470 flat angles C4'-P-C4' energy: -92.447 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -34.504 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: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -604.816772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.816772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.816772 (E_RNA) where: Base-Base interactions energy: -308.613 where: short stacking energy: -195.595 Base-Backbone interact. energy: -2.722 local terms energy: -293.481043 where: bonds (distance) C4'-P energy: -65.797 bonds (distance) P-C4' energy: -88.256 flat angles C4'-P-C4' energy: -63.158 flat angles P-C4'-P energy: -63.492 tors. eta vs tors. theta energy: -12.778 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: 1, replica: 6 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2225.335746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.335746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.335746 (E_RNA) where: Base-Base interactions energy: -1532.288 where: short stacking energy: -627.672 Base-Backbone interact. energy: 0.556 local terms energy: -693.603193 where: bonds (distance) C4'-P energy: -121.431 bonds (distance) P-C4' energy: -130.841 flat angles C4'-P-C4' energy: -142.590 flat angles P-C4'-P energy: -112.477 tors. eta vs tors. theta energy: -186.264 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: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2177.516729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.516729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.516729 (E_RNA) where: Base-Base interactions energy: -1529.435 where: short stacking energy: -594.893 Base-Backbone interact. energy: -5.191 local terms energy: -642.890778 where: bonds (distance) C4'-P energy: -128.927 bonds (distance) P-C4' energy: -105.656 flat angles C4'-P-C4' energy: -131.087 flat angles P-C4'-P energy: -90.234 tors. eta vs tors. theta energy: -186.987 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: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2004.697430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.697430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.697430 (E_RNA) where: Base-Base interactions energy: -1396.073 where: short stacking energy: -600.006 Base-Backbone interact. energy: 0.060 local terms energy: -608.684155 where: bonds (distance) C4'-P energy: -112.605 bonds (distance) P-C4' energy: -116.986 flat angles C4'-P-C4' energy: -133.134 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -162.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1968.549899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.549899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.549899 (E_RNA) where: Base-Base interactions energy: -1336.686 where: short stacking energy: -568.691 Base-Backbone interact. energy: -4.698 local terms energy: -627.165910 where: bonds (distance) C4'-P energy: -112.131 bonds (distance) P-C4' energy: -120.623 flat angles C4'-P-C4' energy: -129.560 flat angles P-C4'-P energy: -85.736 tors. eta vs tors. theta energy: -179.115 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: 113 Temperature: 1.100000 Total energy: -1753.520421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.520421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.520421 (E_RNA) where: Base-Base interactions energy: -1199.275 where: short stacking energy: -494.018 Base-Backbone interact. energy: 5.914 local terms energy: -560.159164 where: bonds (distance) C4'-P energy: -106.700 bonds (distance) P-C4' energy: -109.807 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -92.334 tors. eta vs tors. theta energy: -128.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1638.639198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.639198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.639198 (E_RNA) where: Base-Base interactions energy: -1087.173 where: short stacking energy: -475.319 Base-Backbone interact. energy: -0.954 local terms energy: -550.512579 where: bonds (distance) C4'-P energy: -97.710 bonds (distance) P-C4' energy: -113.516 flat angles C4'-P-C4' energy: -105.956 flat angles P-C4'-P energy: -88.565 tors. eta vs tors. theta energy: -144.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1273.268365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.268365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.268365 (E_RNA) where: Base-Base interactions energy: -784.059 where: short stacking energy: -394.176 Base-Backbone interact. energy: -2.786 local terms energy: -486.422685 where: bonds (distance) C4'-P energy: -106.603 bonds (distance) P-C4' energy: -104.869 flat angles C4'-P-C4' energy: -103.752 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -105.026 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: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1063.617100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.617100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.617100 (E_RNA) where: Base-Base interactions energy: -618.599 where: short stacking energy: -304.451 Base-Backbone interact. energy: 0.752 local terms energy: -445.769812 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -99.521 flat angles C4'-P-C4' energy: -106.378 flat angles P-C4'-P energy: -71.371 tors. eta vs tors. theta energy: -52.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -890.613819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.613819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.613819 (E_RNA) where: Base-Base interactions energy: -515.404 where: short stacking energy: -261.524 Base-Backbone interact. energy: 2.729 local terms energy: -377.938356 where: bonds (distance) C4'-P energy: -98.353 bonds (distance) P-C4' energy: -91.187 flat angles C4'-P-C4' energy: -89.810 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -50.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -560.445272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.445272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.445272 (E_RNA) where: Base-Base interactions energy: -243.469 where: short stacking energy: -141.032 Base-Backbone interact. energy: -1.180 local terms energy: -315.796357 where: bonds (distance) C4'-P energy: -113.722 bonds (distance) P-C4' energy: -81.125 flat angles C4'-P-C4' energy: -90.392 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: 22.394 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: 6 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2227.440044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.440044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.440044 (E_RNA) where: Base-Base interactions energy: -1542.317 where: short stacking energy: -629.880 Base-Backbone interact. energy: 1.748 local terms energy: -686.871253 where: bonds (distance) C4'-P energy: -123.385 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -146.456 flat angles P-C4'-P energy: -100.897 tors. eta vs tors. theta energy: -186.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2158.942538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.942538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.942538 (E_RNA) where: Base-Base interactions energy: -1510.850 where: short stacking energy: -603.912 Base-Backbone interact. energy: -1.659 local terms energy: -646.433271 where: bonds (distance) C4'-P energy: -112.373 bonds (distance) P-C4' energy: -121.818 flat angles C4'-P-C4' energy: -129.917 flat angles P-C4'-P energy: -101.401 tors. eta vs tors. theta energy: -180.923 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: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2023.760757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.760757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.760757 (E_RNA) where: Base-Base interactions energy: -1374.704 where: short stacking energy: -560.258 Base-Backbone interact. energy: -3.114 local terms energy: -645.943158 where: bonds (distance) C4'-P energy: -125.132 bonds (distance) P-C4' energy: -110.980 flat angles C4'-P-C4' energy: -136.645 flat angles P-C4'-P energy: -92.436 tors. eta vs tors. theta energy: -180.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1993.391872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.391872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.391872 (E_RNA) where: Base-Base interactions energy: -1376.420 where: short stacking energy: -583.120 Base-Backbone interact. energy: -2.740 local terms energy: -614.231528 where: bonds (distance) C4'-P energy: -107.031 bonds (distance) P-C4' energy: -121.187 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -87.047 tors. eta vs tors. theta energy: -166.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1815.536976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.536976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.536976 (E_RNA) where: Base-Base interactions energy: -1267.805 where: short stacking energy: -538.043 Base-Backbone interact. energy: -0.963 local terms energy: -546.768480 where: bonds (distance) C4'-P energy: -97.082 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -125.762 flat angles P-C4'-P energy: -79.531 tors. eta vs tors. theta energy: -151.511 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: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1567.790083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.790083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.790083 (E_RNA) where: Base-Base interactions energy: -1046.408 where: short stacking energy: -445.873 Base-Backbone interact. energy: 1.537 local terms energy: -522.919179 where: bonds (distance) C4'-P energy: -116.869 bonds (distance) P-C4' energy: -101.639 flat angles C4'-P-C4' energy: -106.311 flat angles P-C4'-P energy: -79.589 tors. eta vs tors. theta energy: -118.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1274.089626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.089626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.089626 (E_RNA) where: Base-Base interactions energy: -794.237 where: short stacking energy: -379.482 Base-Backbone interact. energy: 1.488 local terms energy: -481.341308 where: bonds (distance) C4'-P energy: -88.226 bonds (distance) P-C4' energy: -110.469 flat angles C4'-P-C4' energy: -103.627 flat angles P-C4'-P energy: -74.888 tors. eta vs tors. theta energy: -104.132 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: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1082.920757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.920757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.920757 (E_RNA) where: Base-Base interactions energy: -640.846 where: short stacking energy: -318.893 Base-Backbone interact. energy: 0.747 local terms energy: -442.821686 where: bonds (distance) C4'-P energy: -112.514 bonds (distance) P-C4' energy: -109.353 flat angles C4'-P-C4' energy: -95.297 flat angles P-C4'-P energy: -65.595 tors. eta vs tors. theta energy: -60.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -887.284568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.284568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.284568 (E_RNA) where: Base-Base interactions energy: -503.848 where: short stacking energy: -252.906 Base-Backbone interact. energy: 5.941 local terms energy: -389.378040 where: bonds (distance) C4'-P energy: -96.200 bonds (distance) P-C4' energy: -109.629 flat angles C4'-P-C4' energy: -78.126 flat angles P-C4'-P energy: -67.954 tors. eta vs tors. theta energy: -37.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -568.303680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.303680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.303680 (E_RNA) where: Base-Base interactions energy: -250.038 where: short stacking energy: -136.973 Base-Backbone interact. energy: 0.266 local terms energy: -318.531773 where: bonds (distance) C4'-P energy: -88.723 bonds (distance) P-C4' energy: -105.946 flat angles C4'-P-C4' energy: -77.469 flat angles P-C4'-P energy: -60.311 tors. eta vs tors. theta energy: 13.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2233.140116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.140116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.140116 (E_RNA) where: Base-Base interactions energy: -1562.970 where: short stacking energy: -633.401 Base-Backbone interact. energy: -1.064 local terms energy: -669.106355 where: bonds (distance) C4'-P energy: -114.253 bonds (distance) P-C4' energy: -130.823 flat angles C4'-P-C4' energy: -139.407 flat angles P-C4'-P energy: -97.584 tors. eta vs tors. theta energy: -187.040 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: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2143.511813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.511813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.511813 (E_RNA) where: Base-Base interactions energy: -1493.707 where: short stacking energy: -606.493 Base-Backbone interact. energy: -6.468 local terms energy: -643.336681 where: bonds (distance) C4'-P energy: -115.458 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -136.950 flat angles P-C4'-P energy: -97.481 tors. eta vs tors. theta energy: -181.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2037.207648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.207648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.207648 (E_RNA) where: Base-Base interactions energy: -1400.112 where: short stacking energy: -574.339 Base-Backbone interact. energy: -2.482 local terms energy: -634.613288 where: bonds (distance) C4'-P energy: -124.730 bonds (distance) P-C4' energy: -111.299 flat angles C4'-P-C4' energy: -134.461 flat angles P-C4'-P energy: -82.238 tors. eta vs tors. theta energy: -181.886 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: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1938.192669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.192669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.192669 (E_RNA) where: Base-Base interactions energy: -1332.374 where: short stacking energy: -562.427 Base-Backbone interact. energy: -2.548 local terms energy: -603.270814 where: bonds (distance) C4'-P energy: -116.849 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -124.979 flat angles P-C4'-P energy: -94.303 tors. eta vs tors. theta energy: -164.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1769.870089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.870089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.870089 (E_RNA) where: Base-Base interactions energy: -1211.498 where: short stacking energy: -501.040 Base-Backbone interact. energy: 2.189 local terms energy: -560.561068 where: bonds (distance) C4'-P energy: -98.335 bonds (distance) P-C4' energy: -107.792 flat angles C4'-P-C4' energy: -123.651 flat angles P-C4'-P energy: -89.464 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: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1577.628736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.628736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.628736 (E_RNA) where: Base-Base interactions energy: -1032.846 where: short stacking energy: -451.921 Base-Backbone interact. energy: 2.227 local terms energy: -547.009347 where: bonds (distance) C4'-P energy: -111.105 bonds (distance) P-C4' energy: -118.347 flat angles C4'-P-C4' energy: -123.536 flat angles P-C4'-P energy: -77.828 tors. eta vs tors. theta energy: -116.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1263.753185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.753185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.753185 (E_RNA) where: Base-Base interactions energy: -803.244 where: short stacking energy: -337.713 Base-Backbone interact. energy: -2.516 local terms energy: -457.993705 where: bonds (distance) C4'-P energy: -95.667 bonds (distance) P-C4' energy: -120.262 flat angles C4'-P-C4' energy: -107.412 flat angles P-C4'-P energy: -58.237 tors. eta vs tors. theta energy: -76.416 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: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1170.435819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.435819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.435819 (E_RNA) where: Base-Base interactions energy: -716.478 where: short stacking energy: -311.376 Base-Backbone interact. energy: -3.715 local terms energy: -450.242445 where: bonds (distance) C4'-P energy: -103.720 bonds (distance) P-C4' energy: -125.576 flat angles C4'-P-C4' energy: -101.146 flat angles P-C4'-P energy: -59.466 tors. eta vs tors. theta energy: -60.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -867.318157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.318157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.318157 (E_RNA) where: Base-Base interactions energy: -488.727 where: short stacking energy: -221.614 Base-Backbone interact. energy: -3.445 local terms energy: -375.145536 where: bonds (distance) C4'-P energy: -85.046 bonds (distance) P-C4' energy: -120.927 flat angles C4'-P-C4' energy: -97.190 flat angles P-C4'-P energy: -42.275 tors. eta vs tors. theta energy: -29.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -592.639154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.639154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.639154 (E_RNA) where: Base-Base interactions energy: -255.137 where: short stacking energy: -150.404 Base-Backbone interact. energy: 0.597 local terms energy: -338.099298 where: bonds (distance) C4'-P energy: -98.158 bonds (distance) P-C4' energy: -98.668 flat angles C4'-P-C4' energy: -73.548 flat angles P-C4'-P energy: -68.519 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2216.259144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.259144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.259144 (E_RNA) where: Base-Base interactions energy: -1535.207 where: short stacking energy: -638.753 Base-Backbone interact. energy: 0.137 local terms energy: -681.188395 where: bonds (distance) C4'-P energy: -120.823 bonds (distance) P-C4' energy: -127.496 flat angles C4'-P-C4' energy: -135.555 flat angles P-C4'-P energy: -100.591 tors. eta vs tors. theta energy: -196.723 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: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2163.128449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.128449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.128449 (E_RNA) where: Base-Base interactions energy: -1515.330 where: short stacking energy: -623.290 Base-Backbone interact. energy: -1.358 local terms energy: -646.440573 where: bonds (distance) C4'-P energy: -118.515 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -127.576 flat angles P-C4'-P energy: -98.764 tors. eta vs tors. theta energy: -181.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2061.265558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.265558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.265558 (E_RNA) where: Base-Base interactions energy: -1389.931 where: short stacking energy: -608.728 Base-Backbone interact. energy: -2.246 local terms energy: -669.088377 where: bonds (distance) C4'-P energy: -126.117 bonds (distance) P-C4' energy: -108.304 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -94.970 tors. eta vs tors. theta energy: -195.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1962.766964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.766964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.766964 (E_RNA) where: Base-Base interactions energy: -1362.379 where: short stacking energy: -557.115 Base-Backbone interact. energy: -0.660 local terms energy: -599.727713 where: bonds (distance) C4'-P energy: -113.853 bonds (distance) P-C4' energy: -112.798 flat angles C4'-P-C4' energy: -133.344 flat angles P-C4'-P energy: -79.099 tors. eta vs tors. theta energy: -160.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1785.809803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.809803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.809803 (E_RNA) where: Base-Base interactions energy: -1223.441 where: short stacking energy: -503.361 Base-Backbone interact. energy: -1.189 local terms energy: -561.180515 where: bonds (distance) C4'-P energy: -106.828 bonds (distance) P-C4' energy: -116.149 flat angles C4'-P-C4' energy: -124.528 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -143.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1604.478631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.478631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.478631 (E_RNA) where: Base-Base interactions energy: -1032.986 where: short stacking energy: -457.654 Base-Backbone interact. energy: 2.018 local terms energy: -573.511155 where: bonds (distance) C4'-P energy: -123.514 bonds (distance) P-C4' energy: -125.110 flat angles C4'-P-C4' energy: -125.828 flat angles P-C4'-P energy: -71.176 tors. eta vs tors. theta energy: -127.883 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: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1262.124395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.124395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.124395 (E_RNA) where: Base-Base interactions energy: -803.505 where: short stacking energy: -352.982 Base-Backbone interact. energy: -1.247 local terms energy: -457.372322 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -102.342 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -67.178 tors. eta vs tors. theta energy: -78.474 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: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1182.436243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.436243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.436243 (E_RNA) where: Base-Base interactions energy: -725.355 where: short stacking energy: -302.786 Base-Backbone interact. energy: 0.805 local terms energy: -457.885944 where: bonds (distance) C4'-P energy: -103.919 bonds (distance) P-C4' energy: -111.587 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -71.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -846.055225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.055225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.055225 (E_RNA) where: Base-Base interactions energy: -450.249 where: short stacking energy: -235.565 Base-Backbone interact. energy: 3.431 local terms energy: -399.237613 where: bonds (distance) C4'-P energy: -102.465 bonds (distance) P-C4' energy: -110.493 flat angles C4'-P-C4' energy: -102.171 flat angles P-C4'-P energy: -58.060 tors. eta vs tors. theta energy: -26.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -618.353927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.353927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.353927 (E_RNA) where: Base-Base interactions energy: -288.117 where: short stacking energy: -155.957 Base-Backbone interact. energy: -1.672 local terms energy: -328.565772 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -111.882 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -60.494 tors. eta vs tors. theta energy: 20.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2208.985299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.985299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.985299 (E_RNA) where: Base-Base interactions energy: -1542.263 where: short stacking energy: -640.390 Base-Backbone interact. energy: 0.996 local terms energy: -667.718457 where: bonds (distance) C4'-P energy: -132.992 bonds (distance) P-C4' energy: -114.007 flat angles C4'-P-C4' energy: -140.837 flat angles P-C4'-P energy: -86.694 tors. eta vs tors. theta energy: -193.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2136.617566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.617566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.617566 (E_RNA) where: Base-Base interactions energy: -1499.727 where: short stacking energy: -630.509 Base-Backbone interact. energy: 1.244 local terms energy: -638.135059 where: bonds (distance) C4'-P energy: -110.805 bonds (distance) P-C4' energy: -120.882 flat angles C4'-P-C4' energy: -140.146 flat angles P-C4'-P energy: -90.024 tors. eta vs tors. theta energy: -176.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2066.029981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.029981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.029981 (E_RNA) where: Base-Base interactions energy: -1410.195 where: short stacking energy: -583.811 Base-Backbone interact. energy: -2.681 local terms energy: -653.153370 where: bonds (distance) C4'-P energy: -123.126 bonds (distance) P-C4' energy: -118.520 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -188.654 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: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1925.744783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.744783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.744783 (E_RNA) where: Base-Base interactions energy: -1319.087 where: short stacking energy: -541.246 Base-Backbone interact. energy: 1.116 local terms energy: -607.773939 where: bonds (distance) C4'-P energy: -110.013 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -130.201 flat angles P-C4'-P energy: -86.987 tors. eta vs tors. theta energy: -156.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1788.506135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.506135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.506135 (E_RNA) where: Base-Base interactions energy: -1231.098 where: short stacking energy: -516.329 Base-Backbone interact. energy: -0.178 local terms energy: -557.230528 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -95.429 flat angles C4'-P-C4' energy: -125.056 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -155.700 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: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1559.754009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.754009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.754009 (E_RNA) where: Base-Base interactions energy: -1020.342 where: short stacking energy: -451.890 Base-Backbone interact. energy: 3.512 local terms energy: -542.924073 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -124.672 flat angles C4'-P-C4' energy: -120.781 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -122.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1259.294833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.294833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.294833 (E_RNA) where: Base-Base interactions energy: -821.113 where: short stacking energy: -389.414 Base-Backbone interact. energy: 1.619 local terms energy: -439.801045 where: bonds (distance) C4'-P energy: -89.255 bonds (distance) P-C4' energy: -94.081 flat angles C4'-P-C4' energy: -106.870 flat angles P-C4'-P energy: -64.130 tors. eta vs tors. theta energy: -85.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1146.543612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.543612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.543612 (E_RNA) where: Base-Base interactions energy: -737.568 where: short stacking energy: -342.511 Base-Backbone interact. energy: -1.405 local terms energy: -407.571268 where: bonds (distance) C4'-P energy: -89.410 bonds (distance) P-C4' energy: -93.761 flat angles C4'-P-C4' energy: -100.414 flat angles P-C4'-P energy: -63.266 tors. eta vs tors. theta energy: -60.720 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: 9, replica: 1 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -846.684958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.684958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.684958 (E_RNA) where: Base-Base interactions energy: -445.576 where: short stacking energy: -234.704 Base-Backbone interact. energy: 1.116 local terms energy: -402.225289 where: bonds (distance) C4'-P energy: -96.592 bonds (distance) P-C4' energy: -119.385 flat angles C4'-P-C4' energy: -93.826 flat angles P-C4'-P energy: -69.479 tors. eta vs tors. theta energy: -22.943 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: 117 Temperature: 1.350000 Total energy: -624.223679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.223679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.223679 (E_RNA) where: Base-Base interactions energy: -306.693 where: short stacking energy: -168.636 Base-Backbone interact. energy: 2.295 local terms energy: -319.825345 where: bonds (distance) C4'-P energy: -96.973 bonds (distance) P-C4' energy: -100.493 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -53.025 tors. eta vs tors. theta energy: 5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -2238.505710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.505710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.505710 (E_RNA) where: Base-Base interactions energy: -1581.710 where: short stacking energy: -652.448 Base-Backbone interact. energy: -1.198 local terms energy: -655.598677 where: bonds (distance) C4'-P energy: -119.624 bonds (distance) P-C4' energy: -109.735 flat angles C4'-P-C4' energy: -144.416 flat angles P-C4'-P energy: -91.324 tors. eta vs tors. theta energy: -190.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2143.843572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.843572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.843572 (E_RNA) where: Base-Base interactions energy: -1499.678 where: short stacking energy: -610.009 Base-Backbone interact. energy: 0.937 local terms energy: -645.102926 where: bonds (distance) C4'-P energy: -123.530 bonds (distance) P-C4' energy: -115.759 flat angles C4'-P-C4' energy: -139.307 flat angles P-C4'-P energy: -95.516 tors. eta vs tors. theta energy: -170.990 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: 3 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2034.597104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.597104 (E_RNA) where: Base-Base interactions energy: -1399.296 where: short stacking energy: -611.671 Base-Backbone interact. energy: 0.931 local terms energy: -636.231518 where: bonds (distance) C4'-P energy: -113.495 bonds (distance) P-C4' energy: -113.077 flat angles C4'-P-C4' energy: -133.638 flat angles P-C4'-P energy: -93.602 tors. eta vs tors. theta energy: -182.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1975.239580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.239580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.239580 (E_RNA) where: Base-Base interactions energy: -1369.776 where: short stacking energy: -541.947 Base-Backbone interact. energy: 1.132 local terms energy: -606.595597 where: bonds (distance) C4'-P energy: -112.945 bonds (distance) P-C4' energy: -118.766 flat angles C4'-P-C4' energy: -132.731 flat angles P-C4'-P energy: -80.331 tors. eta vs tors. theta energy: -161.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1769.976544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.976544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.976544 (E_RNA) where: Base-Base interactions energy: -1194.817 where: short stacking energy: -510.238 Base-Backbone interact. energy: -3.278 local terms energy: -571.881530 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -108.040 flat angles C4'-P-C4' energy: -115.589 flat angles P-C4'-P energy: -89.056 tors. eta vs tors. theta energy: -147.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1564.548665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.548665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.548665 (E_RNA) where: Base-Base interactions energy: -1014.382 where: short stacking energy: -432.909 Base-Backbone interact. energy: -1.462 local terms energy: -548.704421 where: bonds (distance) C4'-P energy: -110.774 bonds (distance) P-C4' energy: -127.891 flat angles C4'-P-C4' energy: -124.579 flat angles P-C4'-P energy: -77.558 tors. eta vs tors. theta energy: -107.902 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: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1245.704361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.704361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.704361 (E_RNA) where: Base-Base interactions energy: -778.478 where: short stacking energy: -370.429 Base-Backbone interact. energy: 3.181 local terms energy: -470.406983 where: bonds (distance) C4'-P energy: -77.446 bonds (distance) P-C4' energy: -120.065 flat angles C4'-P-C4' energy: -124.084 flat angles P-C4'-P energy: -67.345 tors. eta vs tors. theta energy: -81.467 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: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1172.678620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.678620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.678620 (E_RNA) where: Base-Base interactions energy: -731.379 where: short stacking energy: -318.008 Base-Backbone interact. energy: -0.828 local terms energy: -440.471423 where: bonds (distance) C4'-P energy: -100.907 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -108.631 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -65.975 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: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -913.436443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.436443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.436443 (E_RNA) where: Base-Base interactions energy: -522.928 where: short stacking energy: -272.484 Base-Backbone interact. energy: 3.331 local terms energy: -393.838918 where: bonds (distance) C4'-P energy: -75.830 bonds (distance) P-C4' energy: -119.738 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -41.820 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: 118 Temperature: 1.350000 Total energy: -698.967412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.967412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.967412 (E_RNA) where: Base-Base interactions energy: -371.314 where: short stacking energy: -198.802 Base-Backbone interact. energy: 2.523 local terms energy: -330.176382 where: bonds (distance) C4'-P energy: -98.710 bonds (distance) P-C4' energy: -104.845 flat angles C4'-P-C4' energy: -77.288 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: 1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2228.427874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.427874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.427874 (E_RNA) where: Base-Base interactions energy: -1562.628 where: short stacking energy: -642.614 Base-Backbone interact. energy: -0.849 local terms energy: -664.950469 where: bonds (distance) C4'-P energy: -115.499 bonds (distance) P-C4' energy: -114.464 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -193.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2155.055417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.055417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.055417 (E_RNA) where: Base-Base interactions energy: -1517.648 where: short stacking energy: -612.074 Base-Backbone interact. energy: -3.951 local terms energy: -633.456386 where: bonds (distance) C4'-P energy: -119.511 bonds (distance) P-C4' energy: -118.983 flat angles C4'-P-C4' energy: -132.485 flat angles P-C4'-P energy: -95.400 tors. eta vs tors. theta energy: -167.077 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: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2026.217284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.217284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.217284 (E_RNA) where: Base-Base interactions energy: -1388.374 where: short stacking energy: -556.445 Base-Backbone interact. energy: 2.011 local terms energy: -639.854633 where: bonds (distance) C4'-P energy: -126.522 bonds (distance) P-C4' energy: -105.875 flat angles C4'-P-C4' energy: -136.318 flat angles P-C4'-P energy: -97.086 tors. eta vs tors. theta energy: -174.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1970.750096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.750096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.750096 (E_RNA) where: Base-Base interactions energy: -1335.133 where: short stacking energy: -557.113 Base-Backbone interact. energy: 3.333 local terms energy: -638.949757 where: bonds (distance) C4'-P energy: -116.720 bonds (distance) P-C4' energy: -125.283 flat angles C4'-P-C4' energy: -138.947 flat angles P-C4'-P energy: -92.923 tors. eta vs tors. theta energy: -165.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1734.858415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.858415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.858415 (E_RNA) where: Base-Base interactions energy: -1152.926 where: short stacking energy: -492.181 Base-Backbone interact. energy: -3.389 local terms energy: -578.543644 where: bonds (distance) C4'-P energy: -107.254 bonds (distance) P-C4' energy: -137.713 flat angles C4'-P-C4' energy: -123.963 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -139.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1583.662081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.662081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.662081 (E_RNA) where: Base-Base interactions energy: -1063.844 where: short stacking energy: -456.714 Base-Backbone interact. energy: -0.572 local terms energy: -519.246214 where: bonds (distance) C4'-P energy: -102.169 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -118.297 flat angles P-C4'-P energy: -77.669 tors. eta vs tors. theta energy: -112.311 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: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1281.593354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.593354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.593354 (E_RNA) where: Base-Base interactions energy: -815.757 where: short stacking energy: -372.037 Base-Backbone interact. energy: 4.375 local terms energy: -470.211210 where: bonds (distance) C4'-P energy: -105.066 bonds (distance) P-C4' energy: -114.809 flat angles C4'-P-C4' energy: -103.060 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -76.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1185.172613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.172613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.172613 (E_RNA) where: Base-Base interactions energy: -732.713 where: short stacking energy: -333.193 Base-Backbone interact. energy: 3.479 local terms energy: -455.938512 where: bonds (distance) C4'-P energy: -90.316 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -115.202 flat angles P-C4'-P energy: -65.862 tors. eta vs tors. theta energy: -75.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -907.466301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.466301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.466301 (E_RNA) where: Base-Base interactions energy: -500.242 where: short stacking energy: -239.220 Base-Backbone interact. energy: -2.127 local terms energy: -405.097193 where: bonds (distance) C4'-P energy: -107.281 bonds (distance) P-C4' energy: -101.146 flat angles C4'-P-C4' energy: -101.121 flat angles P-C4'-P energy: -77.477 tors. eta vs tors. theta energy: -18.072 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: 119 Temperature: 1.350000 Total energy: -795.433141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.433141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.433141 (E_RNA) where: Base-Base interactions energy: -470.635 where: short stacking energy: -225.942 Base-Backbone interact. energy: 2.964 local terms energy: -327.763054 where: bonds (distance) C4'-P energy: -84.690 bonds (distance) P-C4' energy: -97.790 flat angles C4'-P-C4' energy: -78.917 flat angles P-C4'-P energy: -46.687 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: 120 Temperature: 0.900000 Total energy: -2243.749917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.749917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.749917 (E_RNA) where: Base-Base interactions energy: -1568.745 where: short stacking energy: -642.236 Base-Backbone interact. energy: 1.696 local terms energy: -676.700950 where: bonds (distance) C4'-P energy: -118.500 bonds (distance) P-C4' energy: -120.052 flat angles C4'-P-C4' energy: -153.024 flat angles P-C4'-P energy: -93.404 tors. eta vs tors. theta energy: -191.720 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: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2146.151372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.151372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.151372 (E_RNA) where: Base-Base interactions energy: -1499.367 where: short stacking energy: -620.144 Base-Backbone interact. energy: -5.230 local terms energy: -641.554079 where: bonds (distance) C4'-P energy: -106.308 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -138.583 flat angles P-C4'-P energy: -93.166 tors. eta vs tors. theta energy: -184.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2025.796085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.796085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.796085 (E_RNA) where: Base-Base interactions energy: -1399.546 where: short stacking energy: -591.454 Base-Backbone interact. energy: 1.647 local terms energy: -627.897499 where: bonds (distance) C4'-P energy: -123.147 bonds (distance) P-C4' energy: -109.885 flat angles C4'-P-C4' energy: -138.693 flat angles P-C4'-P energy: -84.358 tors. eta vs tors. theta energy: -171.815 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: 8 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1940.855290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.855290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.855290 (E_RNA) where: Base-Base interactions energy: -1355.022 where: short stacking energy: -567.453 Base-Backbone interact. energy: -0.726 local terms energy: -585.106936 where: bonds (distance) C4'-P energy: -103.774 bonds (distance) P-C4' energy: -99.562 flat angles C4'-P-C4' energy: -139.057 flat angles P-C4'-P energy: -80.625 tors. eta vs tors. theta energy: -162.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1737.569028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.569028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.569028 (E_RNA) where: Base-Base interactions energy: -1166.829 where: short stacking energy: -477.536 Base-Backbone interact. energy: 0.950 local terms energy: -571.690226 where: bonds (distance) C4'-P energy: -116.864 bonds (distance) P-C4' energy: -106.485 flat angles C4'-P-C4' energy: -126.904 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -145.450 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: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1591.214214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.214214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.214214 (E_RNA) where: Base-Base interactions energy: -1076.317 where: short stacking energy: -455.639 Base-Backbone interact. energy: 0.015 local terms energy: -514.911550 where: bonds (distance) C4'-P energy: -94.904 bonds (distance) P-C4' energy: -115.099 flat angles C4'-P-C4' energy: -114.625 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: -115.912 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: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1334.535590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.535590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.535590 (E_RNA) where: Base-Base interactions energy: -857.567 where: short stacking energy: -398.533 Base-Backbone interact. energy: -0.142 local terms energy: -476.826745 where: bonds (distance) C4'-P energy: -107.192 bonds (distance) P-C4' energy: -103.151 flat angles C4'-P-C4' energy: -101.393 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1218.939402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.939402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.939402 (E_RNA) where: Base-Base interactions energy: -732.047 where: short stacking energy: -340.453 Base-Backbone interact. energy: -2.890 local terms energy: -484.003177 where: bonds (distance) C4'-P energy: -103.512 bonds (distance) P-C4' energy: -111.359 flat angles C4'-P-C4' energy: -108.900 flat angles P-C4'-P energy: -79.433 tors. eta vs tors. theta energy: -80.800 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: 1 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -889.232711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.232711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.232711 (E_RNA) where: Base-Base interactions energy: -499.748 where: short stacking energy: -223.228 Base-Backbone interact. energy: -1.548 local terms energy: -387.936497 where: bonds (distance) C4'-P energy: -100.925 bonds (distance) P-C4' energy: -112.371 flat angles C4'-P-C4' energy: -84.628 flat angles P-C4'-P energy: -65.711 tors. eta vs tors. theta energy: -24.301 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: 120 Temperature: 1.350000 Total energy: -805.148170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.148170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.148170 (E_RNA) where: Base-Base interactions energy: -442.448 where: short stacking energy: -208.923 Base-Backbone interact. energy: -0.227 local terms energy: -362.472966 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -100.874 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -54.873 tors. eta vs tors. theta energy: -17.657 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: 6 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2242.369985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.369985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.369985 (E_RNA) where: Base-Base interactions energy: -1563.705 where: short stacking energy: -663.573 Base-Backbone interact. energy: -1.036 local terms energy: -677.629044 where: bonds (distance) C4'-P energy: -124.526 bonds (distance) P-C4' energy: -120.100 flat angles C4'-P-C4' energy: -149.440 flat angles P-C4'-P energy: -89.375 tors. eta vs tors. theta energy: -194.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2128.731529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.731529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.731529 (E_RNA) where: Base-Base interactions energy: -1488.447 where: short stacking energy: -610.460 Base-Backbone interact. energy: -3.060 local terms energy: -637.224198 where: bonds (distance) C4'-P energy: -109.007 bonds (distance) P-C4' energy: -126.860 flat angles C4'-P-C4' energy: -146.020 flat angles P-C4'-P energy: -82.605 tors. eta vs tors. theta energy: -172.733 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: 121 Temperature: 1.000000 Total energy: -2009.393113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.393113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.393113 (E_RNA) where: Base-Base interactions energy: -1377.715 where: short stacking energy: -590.612 Base-Backbone interact. energy: -1.999 local terms energy: -629.678532 where: bonds (distance) C4'-P energy: -112.583 bonds (distance) P-C4' energy: -115.820 flat angles C4'-P-C4' energy: -131.433 flat angles P-C4'-P energy: -97.740 tors. eta vs tors. theta energy: -172.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1948.810862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.810862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.810862 (E_RNA) where: Base-Base interactions energy: -1333.425 where: short stacking energy: -573.390 Base-Backbone interact. energy: -3.005 local terms energy: -612.380520 where: bonds (distance) C4'-P energy: -105.198 bonds (distance) P-C4' energy: -114.923 flat angles C4'-P-C4' energy: -142.730 flat angles P-C4'-P energy: -82.212 tors. eta vs tors. theta energy: -167.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1756.407148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.407148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.407148 (E_RNA) where: Base-Base interactions energy: -1200.043 where: short stacking energy: -509.022 Base-Backbone interact. energy: -4.092 local terms energy: -552.272021 where: bonds (distance) C4'-P energy: -95.758 bonds (distance) P-C4' energy: -116.575 flat angles C4'-P-C4' energy: -109.589 flat angles P-C4'-P energy: -81.146 tors. eta vs tors. theta energy: -149.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1576.772915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.772915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.772915 (E_RNA) where: Base-Base interactions energy: -1037.952 where: short stacking energy: -466.033 Base-Backbone interact. energy: -1.558 local terms energy: -537.263288 where: bonds (distance) C4'-P energy: -102.938 bonds (distance) P-C4' energy: -109.797 flat angles C4'-P-C4' energy: -127.036 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: -125.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1385.047297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.047297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.047297 (E_RNA) where: Base-Base interactions energy: -909.222 where: short stacking energy: -421.314 Base-Backbone interact. energy: -1.846 local terms energy: -473.978818 where: bonds (distance) C4'-P energy: -103.826 bonds (distance) P-C4' energy: -103.624 flat angles C4'-P-C4' energy: -114.671 flat angles P-C4'-P energy: -63.717 tors. eta vs tors. theta energy: -88.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1223.345532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.345532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.345532 (E_RNA) where: Base-Base interactions energy: -751.181 where: short stacking energy: -350.558 Base-Backbone interact. energy: 1.810 local terms energy: -473.974386 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -120.900 flat angles C4'-P-C4' energy: -102.635 flat angles P-C4'-P energy: -67.180 tors. eta vs tors. theta energy: -77.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -819.280556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.280556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.280556 (E_RNA) where: Base-Base interactions energy: -447.113 where: short stacking energy: -237.601 Base-Backbone interact. energy: 0.388 local terms energy: -372.555659 where: bonds (distance) C4'-P energy: -87.886 bonds (distance) P-C4' energy: -105.237 flat angles C4'-P-C4' energy: -93.966 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -29.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -768.371047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.371047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.371047 (E_RNA) where: Base-Base interactions energy: -384.172 where: short stacking energy: -212.827 Base-Backbone interact. energy: 2.929 local terms energy: -387.127452 where: bonds (distance) C4'-P energy: -113.745 bonds (distance) P-C4' energy: -97.458 flat angles C4'-P-C4' energy: -79.820 flat angles P-C4'-P energy: -67.351 tors. eta vs tors. theta energy: -28.753 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: 6 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2251.993789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.993789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.993789 (E_RNA) where: Base-Base interactions energy: -1575.727 where: short stacking energy: -638.242 Base-Backbone interact. energy: 0.360 local terms energy: -676.627217 where: bonds (distance) C4'-P energy: -119.655 bonds (distance) P-C4' energy: -128.115 flat angles C4'-P-C4' energy: -137.441 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -202.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2113.315338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.315338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.315338 (E_RNA) where: Base-Base interactions energy: -1496.574 where: short stacking energy: -599.217 Base-Backbone interact. energy: -1.799 local terms energy: -614.941746 where: bonds (distance) C4'-P energy: -95.378 bonds (distance) P-C4' energy: -123.199 flat angles C4'-P-C4' energy: -134.453 flat angles P-C4'-P energy: -89.349 tors. eta vs tors. theta energy: -172.563 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: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2013.308148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.308148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.308148 (E_RNA) where: Base-Base interactions energy: -1379.773 where: short stacking energy: -607.738 Base-Backbone interact. energy: 2.813 local terms energy: -636.347984 where: bonds (distance) C4'-P energy: -110.361 bonds (distance) P-C4' energy: -117.356 flat angles C4'-P-C4' energy: -143.620 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: -182.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1993.162706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.162706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.162706 (E_RNA) where: Base-Base interactions energy: -1367.233 where: short stacking energy: -566.838 Base-Backbone interact. energy: 0.148 local terms energy: -626.078211 where: bonds (distance) C4'-P energy: -114.962 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -132.643 flat angles P-C4'-P energy: -99.052 tors. eta vs tors. theta energy: -167.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1792.882980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.882980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.882980 (E_RNA) where: Base-Base interactions energy: -1223.178 where: short stacking energy: -499.073 Base-Backbone interact. energy: 3.638 local terms energy: -573.342338 where: bonds (distance) C4'-P energy: -108.405 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -123.059 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -152.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1645.814135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.814135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.814135 (E_RNA) where: Base-Base interactions energy: -1072.758 where: short stacking energy: -491.746 Base-Backbone interact. energy: 0.875 local terms energy: -573.931152 where: bonds (distance) C4'-P energy: -115.200 bonds (distance) P-C4' energy: -101.670 flat angles C4'-P-C4' energy: -131.480 flat angles P-C4'-P energy: -85.316 tors. eta vs tors. theta energy: -140.265 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: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1388.167631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.167631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.167631 (E_RNA) where: Base-Base interactions energy: -873.422 where: short stacking energy: -395.449 Base-Backbone interact. energy: -0.317 local terms energy: -514.429281 where: bonds (distance) C4'-P energy: -96.642 bonds (distance) P-C4' energy: -120.394 flat angles C4'-P-C4' energy: -120.225 flat angles P-C4'-P energy: -75.727 tors. eta vs tors. theta energy: -101.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1174.135491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.135491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.135491 (E_RNA) where: Base-Base interactions energy: -735.716 where: short stacking energy: -330.245 Base-Backbone interact. energy: -0.209 local terms energy: -438.210968 where: bonds (distance) C4'-P energy: -79.195 bonds (distance) P-C4' energy: -101.104 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -75.126 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: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -844.904886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.904886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.904886 (E_RNA) where: Base-Base interactions energy: -478.907 where: short stacking energy: -225.242 Base-Backbone interact. energy: -2.795 local terms energy: -363.203107 where: bonds (distance) C4'-P energy: -105.899 bonds (distance) P-C4' energy: -101.455 flat angles C4'-P-C4' energy: -81.902 flat angles P-C4'-P energy: -49.733 tors. eta vs tors. theta energy: -24.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -756.293501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.293501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.293501 (E_RNA) where: Base-Base interactions energy: -392.268 where: short stacking energy: -201.792 Base-Backbone interact. energy: -0.243 local terms energy: -363.782532 where: bonds (distance) C4'-P energy: -90.389 bonds (distance) P-C4' energy: -118.627 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -41.460 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -2246.137361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.137361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.137361 (E_RNA) where: Base-Base interactions energy: -1566.097 where: short stacking energy: -647.270 Base-Backbone interact. energy: -0.585 local terms energy: -679.455524 where: bonds (distance) C4'-P energy: -108.838 bonds (distance) P-C4' energy: -127.360 flat angles C4'-P-C4' energy: -149.914 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -197.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2107.395559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.395559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.395559 (E_RNA) where: Base-Base interactions energy: -1465.882 where: short stacking energy: -590.202 Base-Backbone interact. energy: -4.206 local terms energy: -637.307904 where: bonds (distance) C4'-P energy: -130.629 bonds (distance) P-C4' energy: -111.521 flat angles C4'-P-C4' energy: -123.539 flat angles P-C4'-P energy: -97.371 tors. eta vs tors. theta energy: -174.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1998.965105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.965105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.965105 (E_RNA) where: Base-Base interactions energy: -1364.561 where: short stacking energy: -554.860 Base-Backbone interact. energy: -1.002 local terms energy: -633.401714 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -111.654 flat angles C4'-P-C4' energy: -138.295 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -170.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1991.795714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.795714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.795714 (E_RNA) where: Base-Base interactions energy: -1371.315 where: short stacking energy: -559.896 Base-Backbone interact. energy: -3.311 local terms energy: -617.170543 where: bonds (distance) C4'-P energy: -116.748 bonds (distance) P-C4' energy: -129.548 flat angles C4'-P-C4' energy: -130.706 flat angles P-C4'-P energy: -81.158 tors. eta vs tors. theta energy: -159.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1796.688707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.688707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.688707 (E_RNA) where: Base-Base interactions energy: -1239.041 where: short stacking energy: -521.139 Base-Backbone interact. energy: 3.220 local terms energy: -560.867664 where: bonds (distance) C4'-P energy: -108.253 bonds (distance) P-C4' energy: -104.954 flat angles C4'-P-C4' energy: -122.322 flat angles P-C4'-P energy: -81.256 tors. eta vs tors. theta energy: -144.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1627.022903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.022903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.022903 (E_RNA) where: Base-Base interactions energy: -1106.396 where: short stacking energy: -509.373 Base-Backbone interact. energy: -1.376 local terms energy: -519.250704 where: bonds (distance) C4'-P energy: -100.830 bonds (distance) P-C4' energy: -98.567 flat angles C4'-P-C4' energy: -125.600 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -121.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1341.133639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.133639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.133639 (E_RNA) where: Base-Base interactions energy: -849.793 where: short stacking energy: -355.751 Base-Backbone interact. energy: -0.186 local terms energy: -491.154183 where: bonds (distance) C4'-P energy: -109.979 bonds (distance) P-C4' energy: -114.953 flat angles C4'-P-C4' energy: -106.507 flat angles P-C4'-P energy: -80.839 tors. eta vs tors. theta energy: -78.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1201.557821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.557821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.557821 (E_RNA) where: Base-Base interactions energy: -753.572 where: short stacking energy: -319.277 Base-Backbone interact. energy: -1.024 local terms energy: -446.961741 where: bonds (distance) C4'-P energy: -93.938 bonds (distance) P-C4' energy: -109.296 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -59.117 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: 1 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -842.910808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.910808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.910808 (E_RNA) where: Base-Base interactions energy: -498.881 where: short stacking energy: -245.434 Base-Backbone interact. energy: 4.061 local terms energy: -348.091031 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -83.102 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -59.847 tors. eta vs tors. theta energy: -21.096 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: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -763.053863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.053863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.053863 (E_RNA) where: Base-Base interactions energy: -424.545 where: short stacking energy: -219.629 Base-Backbone interact. energy: -0.442 local terms energy: -338.066678 where: bonds (distance) C4'-P energy: -99.909 bonds (distance) P-C4' energy: -103.388 flat angles C4'-P-C4' energy: -67.654 flat angles P-C4'-P energy: -52.634 tors. eta vs tors. theta energy: -14.481 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2255.249774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.249774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.249774 (E_RNA) where: Base-Base interactions energy: -1554.916 where: short stacking energy: -661.734 Base-Backbone interact. energy: -1.787 local terms energy: -698.546888 where: bonds (distance) C4'-P energy: -125.509 bonds (distance) P-C4' energy: -130.267 flat angles C4'-P-C4' energy: -144.977 flat angles P-C4'-P energy: -102.942 tors. eta vs tors. theta energy: -194.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2122.074199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.074199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.074199 (E_RNA) where: Base-Base interactions energy: -1477.203 where: short stacking energy: -582.374 Base-Backbone interact. energy: -4.030 local terms energy: -640.840818 where: bonds (distance) C4'-P energy: -125.923 bonds (distance) P-C4' energy: -114.839 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -95.177 tors. eta vs tors. theta energy: -167.087 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: 8 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2031.445178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.445178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.445178 (E_RNA) where: Base-Base interactions energy: -1433.412 where: short stacking energy: -588.445 Base-Backbone interact. energy: -2.976 local terms energy: -595.056404 where: bonds (distance) C4'-P energy: -112.804 bonds (distance) P-C4' energy: -114.924 flat angles C4'-P-C4' energy: -126.149 flat angles P-C4'-P energy: -76.530 tors. eta vs tors. theta energy: -164.651 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: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1976.578044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.578044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.578044 (E_RNA) where: Base-Base interactions energy: -1373.830 where: short stacking energy: -592.902 Base-Backbone interact. energy: 1.811 local terms energy: -604.558305 where: bonds (distance) C4'-P energy: -104.484 bonds (distance) P-C4' energy: -115.727 flat angles C4'-P-C4' energy: -121.011 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -177.230 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: 2 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1754.670732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.670732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.670732 (E_RNA) where: Base-Base interactions energy: -1203.802 where: short stacking energy: -497.966 Base-Backbone interact. energy: -1.537 local terms energy: -549.331500 where: bonds (distance) C4'-P energy: -109.998 bonds (distance) P-C4' energy: -109.355 flat angles C4'-P-C4' energy: -121.674 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -143.529 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: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1617.430167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.430167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.430167 (E_RNA) where: Base-Base interactions energy: -1089.526 where: short stacking energy: -471.187 Base-Backbone interact. energy: -0.777 local terms energy: -527.126905 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -111.188 flat angles C4'-P-C4' energy: -124.309 flat angles P-C4'-P energy: -75.268 tors. eta vs tors. theta energy: -111.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1360.472793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.472793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.472793 (E_RNA) where: Base-Base interactions energy: -851.865 where: short stacking energy: -396.576 Base-Backbone interact. energy: -1.749 local terms energy: -506.858946 where: bonds (distance) C4'-P energy: -101.219 bonds (distance) P-C4' energy: -116.566 flat angles C4'-P-C4' energy: -116.693 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -98.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1235.887441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.887441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.887441 (E_RNA) where: Base-Base interactions energy: -783.667 where: short stacking energy: -344.219 Base-Backbone interact. energy: 2.199 local terms energy: -454.419027 where: bonds (distance) C4'-P energy: -91.133 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -102.994 flat angles P-C4'-P energy: -71.644 tors. eta vs tors. theta energy: -77.060 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: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -916.211338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.211338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.211338 (E_RNA) where: Base-Base interactions energy: -552.107 where: short stacking energy: -256.791 Base-Backbone interact. energy: -0.362 local terms energy: -363.742978 where: bonds (distance) C4'-P energy: -90.848 bonds (distance) P-C4' energy: -97.467 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -28.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -826.870176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.870176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.870176 (E_RNA) where: Base-Base interactions energy: -443.431 where: short stacking energy: -224.391 Base-Backbone interact. energy: 4.073 local terms energy: -387.512238 where: bonds (distance) C4'-P energy: -101.465 bonds (distance) P-C4' energy: -102.529 flat angles C4'-P-C4' energy: -108.968 flat angles P-C4'-P energy: -52.946 tors. eta vs tors. theta energy: -21.603 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: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2257.068587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.068587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.068587 (E_RNA) where: Base-Base interactions energy: -1566.429 where: short stacking energy: -646.011 Base-Backbone interact. energy: -0.784 local terms energy: -689.855301 where: bonds (distance) C4'-P energy: -122.144 bonds (distance) P-C4' energy: -119.334 flat angles C4'-P-C4' energy: -149.539 flat angles P-C4'-P energy: -103.844 tors. eta vs tors. theta energy: -194.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2151.059590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.059590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.059590 (E_RNA) where: Base-Base interactions energy: -1507.379 where: short stacking energy: -608.813 Base-Backbone interact. energy: -3.158 local terms energy: -640.522264 where: bonds (distance) C4'-P energy: -116.855 bonds (distance) P-C4' energy: -114.500 flat angles C4'-P-C4' energy: -135.775 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -177.829 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: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2062.308410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.308410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.308410 (E_RNA) where: Base-Base interactions energy: -1449.865 where: short stacking energy: -580.301 Base-Backbone interact. energy: 4.563 local terms energy: -617.006880 where: bonds (distance) C4'-P energy: -105.764 bonds (distance) P-C4' energy: -108.857 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -94.048 tors. eta vs tors. theta energy: -169.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1940.064339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.064339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.064339 (E_RNA) where: Base-Base interactions energy: -1317.687 where: short stacking energy: -523.880 Base-Backbone interact. energy: 0.264 local terms energy: -622.641161 where: bonds (distance) C4'-P energy: -118.958 bonds (distance) P-C4' energy: -119.792 flat angles C4'-P-C4' energy: -131.080 flat angles P-C4'-P energy: -95.936 tors. eta vs tors. theta energy: -156.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1801.030986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.030986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.030986 (E_RNA) where: Base-Base interactions energy: -1221.576 where: short stacking energy: -513.104 Base-Backbone interact. energy: -1.802 local terms energy: -577.652562 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -108.880 flat angles C4'-P-C4' energy: -132.715 flat angles P-C4'-P energy: -91.288 tors. eta vs tors. theta energy: -144.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1646.053862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.053862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.053862 (E_RNA) where: Base-Base interactions energy: -1100.819 where: short stacking energy: -471.075 Base-Backbone interact. energy: -1.283 local terms energy: -543.951851 where: bonds (distance) C4'-P energy: -113.892 bonds (distance) P-C4' energy: -98.431 flat angles C4'-P-C4' energy: -124.856 flat angles P-C4'-P energy: -82.691 tors. eta vs tors. theta energy: -124.081 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: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1303.293862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.293862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.293862 (E_RNA) where: Base-Base interactions energy: -806.688 where: short stacking energy: -356.907 Base-Backbone interact. energy: -1.987 local terms energy: -494.618406 where: bonds (distance) C4'-P energy: -94.109 bonds (distance) P-C4' energy: -123.187 flat angles C4'-P-C4' energy: -107.151 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -95.484 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: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1210.057391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.057391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.057391 (E_RNA) where: Base-Base interactions energy: -770.093 where: short stacking energy: -364.280 Base-Backbone interact. energy: 0.075 local terms energy: -440.039814 where: bonds (distance) C4'-P energy: -97.360 bonds (distance) P-C4' energy: -98.611 flat angles C4'-P-C4' energy: -91.301 flat angles P-C4'-P energy: -57.484 tors. eta vs tors. theta energy: -95.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -855.098680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.098680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.098680 (E_RNA) where: Base-Base interactions energy: -502.728 where: short stacking energy: -263.366 Base-Backbone interact. energy: -0.049 local terms energy: -352.321395 where: bonds (distance) C4'-P energy: -76.028 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -111.437 flat angles P-C4'-P energy: -45.464 tors. eta vs tors. theta energy: -25.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -848.444725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.444725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.444725 (E_RNA) where: Base-Base interactions energy: -479.929 where: short stacking energy: -255.207 Base-Backbone interact. energy: 6.332 local terms energy: -374.848324 where: bonds (distance) C4'-P energy: -112.486 bonds (distance) P-C4' energy: -89.525 flat angles C4'-P-C4' energy: -108.856 flat angles P-C4'-P energy: -35.168 tors. eta vs tors. theta energy: -28.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2269.974667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.974667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.974667 (E_RNA) where: Base-Base interactions energy: -1593.918 where: short stacking energy: -648.596 Base-Backbone interact. energy: 1.272 local terms energy: -677.328093 where: bonds (distance) C4'-P energy: -119.662 bonds (distance) P-C4' energy: -125.099 flat angles C4'-P-C4' energy: -137.303 flat angles P-C4'-P energy: -95.947 tors. eta vs tors. theta energy: -199.318 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: 10 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2143.940528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.940528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.940528 (E_RNA) where: Base-Base interactions energy: -1497.508 where: short stacking energy: -604.113 Base-Backbone interact. energy: -1.807 local terms energy: -644.625726 where: bonds (distance) C4'-P energy: -117.056 bonds (distance) P-C4' energy: -128.214 flat angles C4'-P-C4' energy: -139.873 flat angles P-C4'-P energy: -82.247 tors. eta vs tors. theta energy: -177.236 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: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2064.949972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.949972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.949972 (E_RNA) where: Base-Base interactions energy: -1439.143 where: short stacking energy: -618.432 Base-Backbone interact. energy: -0.293 local terms energy: -625.513545 where: bonds (distance) C4'-P energy: -106.650 bonds (distance) P-C4' energy: -117.176 flat angles C4'-P-C4' energy: -143.028 flat angles P-C4'-P energy: -84.742 tors. eta vs tors. theta energy: -173.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1934.582419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.582419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.582419 (E_RNA) where: Base-Base interactions energy: -1341.643 where: short stacking energy: -566.752 Base-Backbone interact. energy: 0.357 local terms energy: -593.296341 where: bonds (distance) C4'-P energy: -111.443 bonds (distance) P-C4' energy: -105.586 flat angles C4'-P-C4' energy: -128.584 flat angles P-C4'-P energy: -84.430 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: 5, replica: 2 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1808.228298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.228298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.228298 (E_RNA) where: Base-Base interactions energy: -1205.308 where: short stacking energy: -522.493 Base-Backbone interact. energy: -4.715 local terms energy: -598.204741 where: bonds (distance) C4'-P energy: -111.961 bonds (distance) P-C4' energy: -113.443 flat angles C4'-P-C4' energy: -128.290 flat angles P-C4'-P energy: -86.723 tors. eta vs tors. theta energy: -157.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1684.360730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.360730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.360730 (E_RNA) where: Base-Base interactions energy: -1127.071 where: short stacking energy: -495.574 Base-Backbone interact. energy: -1.202 local terms energy: -556.087444 where: bonds (distance) C4'-P energy: -104.090 bonds (distance) P-C4' energy: -114.002 flat angles C4'-P-C4' energy: -126.905 flat angles P-C4'-P energy: -71.311 tors. eta vs tors. theta energy: -139.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1337.693500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.693500 (E_RNA) where: Base-Base interactions energy: -844.963 where: short stacking energy: -395.101 Base-Backbone interact. energy: 1.674 local terms energy: -494.403632 where: bonds (distance) C4'-P energy: -89.535 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -124.645 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -94.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1197.353449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.353449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.353449 (E_RNA) where: Base-Base interactions energy: -725.142 where: short stacking energy: -322.160 Base-Backbone interact. energy: 2.247 local terms energy: -474.458691 where: bonds (distance) C4'-P energy: -93.084 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -116.457 flat angles P-C4'-P energy: -78.921 tors. eta vs tors. theta energy: -81.123 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: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -870.169510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.169510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.169510 (E_RNA) where: Base-Base interactions energy: -504.170 where: short stacking energy: -279.767 Base-Backbone interact. energy: 1.704 local terms energy: -367.704275 where: bonds (distance) C4'-P energy: -106.537 bonds (distance) P-C4' energy: -83.587 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -32.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -847.383408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.383408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.383408 (E_RNA) where: Base-Base interactions energy: -472.302 where: short stacking energy: -230.443 Base-Backbone interact. energy: 4.932 local terms energy: -380.012965 where: bonds (distance) C4'-P energy: -96.381 bonds (distance) P-C4' energy: -100.970 flat angles C4'-P-C4' energy: -82.062 flat angles P-C4'-P energy: -59.922 tors. eta vs tors. theta energy: -40.678 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: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -2259.541349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.541349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.541349 (E_RNA) where: Base-Base interactions energy: -1561.539 where: short stacking energy: -650.666 Base-Backbone interact. energy: -0.448 local terms energy: -697.554943 where: bonds (distance) C4'-P energy: -124.722 bonds (distance) P-C4' energy: -125.551 flat angles C4'-P-C4' energy: -143.474 flat angles P-C4'-P energy: -112.018 tors. eta vs tors. theta energy: -191.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2146.567541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.567541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.567541 (E_RNA) where: Base-Base interactions energy: -1487.051 where: short stacking energy: -604.510 Base-Backbone interact. energy: -4.469 local terms energy: -655.048014 where: bonds (distance) C4'-P energy: -114.869 bonds (distance) P-C4' energy: -128.624 flat angles C4'-P-C4' energy: -135.667 flat angles P-C4'-P energy: -96.963 tors. eta vs tors. theta energy: -178.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2037.597854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.597854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.597854 (E_RNA) where: Base-Base interactions energy: -1436.314 where: short stacking energy: -591.542 Base-Backbone interact. energy: -1.499 local terms energy: -599.784435 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -100.700 flat angles C4'-P-C4' energy: -129.924 flat angles P-C4'-P energy: -81.854 tors. eta vs tors. theta energy: -176.052 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: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1915.540002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.540002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.540002 (E_RNA) where: Base-Base interactions energy: -1310.515 where: short stacking energy: -558.247 Base-Backbone interact. energy: -2.003 local terms energy: -603.022172 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -114.394 flat angles C4'-P-C4' energy: -126.599 flat angles P-C4'-P energy: -88.762 tors. eta vs tors. theta energy: -169.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1859.276230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.276230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.276230 (E_RNA) where: Base-Base interactions energy: -1292.550 where: short stacking energy: -520.323 Base-Backbone interact. energy: -2.283 local terms energy: -564.443779 where: bonds (distance) C4'-P energy: -104.558 bonds (distance) P-C4' energy: -117.186 flat angles C4'-P-C4' energy: -117.810 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -149.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1609.168402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.168402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.168402 (E_RNA) where: Base-Base interactions energy: -1088.200 where: short stacking energy: -482.144 Base-Backbone interact. energy: 0.316 local terms energy: -521.283603 where: bonds (distance) C4'-P energy: -96.752 bonds (distance) P-C4' energy: -96.498 flat angles C4'-P-C4' energy: -134.081 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -129.111 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: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1330.808624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.808624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.808624 (E_RNA) where: Base-Base interactions energy: -858.192 where: short stacking energy: -390.461 Base-Backbone interact. energy: -4.667 local terms energy: -467.949610 where: bonds (distance) C4'-P energy: -112.654 bonds (distance) P-C4' energy: -90.896 flat angles C4'-P-C4' energy: -98.779 flat angles P-C4'-P energy: -73.556 tors. eta vs tors. theta energy: -92.064 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: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1246.847986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.847986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.847986 (E_RNA) where: Base-Base interactions energy: -780.975 where: short stacking energy: -359.088 Base-Backbone interact. energy: 0.613 local terms energy: -466.486265 where: bonds (distance) C4'-P energy: -95.054 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -108.356 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -89.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -804.928732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.928732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.928732 (E_RNA) where: Base-Base interactions energy: -429.867 where: short stacking energy: -227.631 Base-Backbone interact. energy: -0.907 local terms energy: -374.154561 where: bonds (distance) C4'-P energy: -97.480 bonds (distance) P-C4' energy: -106.025 flat angles C4'-P-C4' energy: -93.304 flat angles P-C4'-P energy: -54.687 tors. eta vs tors. theta energy: -22.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -915.529726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.529726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.529726 (E_RNA) where: Base-Base interactions energy: -513.225 where: short stacking energy: -239.880 Base-Backbone interact. energy: -1.532 local terms energy: -400.772917 where: bonds (distance) C4'-P energy: -102.247 bonds (distance) P-C4' energy: -91.931 flat angles C4'-P-C4' energy: -108.273 flat angles P-C4'-P energy: -51.384 tors. eta vs tors. theta energy: -46.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2285.148536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.148536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.148536 (E_RNA) where: Base-Base interactions energy: -1594.056 where: short stacking energy: -661.623 Base-Backbone interact. energy: -0.034 local terms energy: -691.059002 where: bonds (distance) C4'-P energy: -134.938 bonds (distance) P-C4' energy: -112.956 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -97.758 tors. eta vs tors. theta energy: -207.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2132.755841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.755841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.755841 (E_RNA) where: Base-Base interactions energy: -1465.942 where: short stacking energy: -624.902 Base-Backbone interact. energy: -5.755 local terms energy: -661.057957 where: bonds (distance) C4'-P energy: -125.213 bonds (distance) P-C4' energy: -123.053 flat angles C4'-P-C4' energy: -137.506 flat angles P-C4'-P energy: -83.061 tors. eta vs tors. theta energy: -192.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2067.880114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.880114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.880114 (E_RNA) where: Base-Base interactions energy: -1451.435 where: short stacking energy: -603.465 Base-Backbone interact. energy: -2.415 local terms energy: -614.030399 where: bonds (distance) C4'-P energy: -119.877 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -125.269 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -175.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1933.361310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.361310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.361310 (E_RNA) where: Base-Base interactions energy: -1316.175 where: short stacking energy: -578.086 Base-Backbone interact. energy: 0.799 local terms energy: -617.985333 where: bonds (distance) C4'-P energy: -102.516 bonds (distance) P-C4' energy: -101.994 flat angles C4'-P-C4' energy: -129.893 flat angles P-C4'-P energy: -88.120 tors. eta vs tors. theta energy: -195.463 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: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1846.583010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.583010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.583010 (E_RNA) where: Base-Base interactions energy: -1259.341 where: short stacking energy: -502.130 Base-Backbone interact. energy: 0.585 local terms energy: -587.827254 where: bonds (distance) C4'-P energy: -108.460 bonds (distance) P-C4' energy: -115.485 flat angles C4'-P-C4' energy: -130.334 flat angles P-C4'-P energy: -80.253 tors. eta vs tors. theta energy: -153.296 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1630.535536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.535536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.535536 (E_RNA) where: Base-Base interactions energy: -1071.718 where: short stacking energy: -453.421 Base-Backbone interact. energy: 9.058 local terms energy: -567.875044 where: bonds (distance) C4'-P energy: -113.974 bonds (distance) P-C4' energy: -120.922 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -79.914 tors. eta vs tors. theta energy: -116.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1409.187725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.187725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.187725 (E_RNA) where: Base-Base interactions energy: -871.636 where: short stacking energy: -404.477 Base-Backbone interact. energy: -2.156 local terms energy: -535.396181 where: bonds (distance) C4'-P energy: -121.204 bonds (distance) P-C4' energy: -115.186 flat angles C4'-P-C4' energy: -113.424 flat angles P-C4'-P energy: -79.376 tors. eta vs tors. theta energy: -106.206 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1213.438486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.438486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.438486 (E_RNA) where: Base-Base interactions energy: -766.841 where: short stacking energy: -332.488 Base-Backbone interact. energy: 6.354 local terms energy: -452.950938 where: bonds (distance) C4'-P energy: -105.817 bonds (distance) P-C4' energy: -124.004 flat angles C4'-P-C4' energy: -105.518 flat angles P-C4'-P energy: -34.761 tors. eta vs tors. theta energy: -82.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -949.138950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.138950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.138950 (E_RNA) where: Base-Base interactions energy: -520.574 where: short stacking energy: -268.437 Base-Backbone interact. energy: -0.285 local terms energy: -428.279645 where: bonds (distance) C4'-P energy: -108.383 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -100.776 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -41.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -731.802998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.802998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.802998 (E_RNA) where: Base-Base interactions energy: -393.079 where: short stacking energy: -187.402 Base-Backbone interact. energy: 4.196 local terms energy: -342.919939 where: bonds (distance) C4'-P energy: -104.786 bonds (distance) P-C4' energy: -112.480 flat angles C4'-P-C4' energy: -79.822 flat angles P-C4'-P energy: -47.732 tors. eta vs tors. theta energy: 1.900 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: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2276.399534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.399534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.399534 (E_RNA) where: Base-Base interactions energy: -1582.607 where: short stacking energy: -663.241 Base-Backbone interact. energy: -1.897 local terms energy: -691.895495 where: bonds (distance) C4'-P energy: -129.383 bonds (distance) P-C4' energy: -120.703 flat angles C4'-P-C4' energy: -152.681 flat angles P-C4'-P energy: -84.403 tors. eta vs tors. theta energy: -204.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2119.380300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.380300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.380300 (E_RNA) where: Base-Base interactions energy: -1488.365 where: short stacking energy: -597.569 Base-Backbone interact. energy: -2.532 local terms energy: -628.483601 where: bonds (distance) C4'-P energy: -109.276 bonds (distance) P-C4' energy: -123.727 flat angles C4'-P-C4' energy: -134.228 flat angles P-C4'-P energy: -85.454 tors. eta vs tors. theta energy: -175.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2043.925672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.925672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.925672 (E_RNA) where: Base-Base interactions energy: -1432.812 where: short stacking energy: -563.386 Base-Backbone interact. energy: -2.315 local terms energy: -608.798904 where: bonds (distance) C4'-P energy: -112.892 bonds (distance) P-C4' energy: -122.467 flat angles C4'-P-C4' energy: -122.267 flat angles P-C4'-P energy: -85.963 tors. eta vs tors. theta energy: -165.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1913.233795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.233795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.233795 (E_RNA) where: Base-Base interactions energy: -1323.073 where: short stacking energy: -547.916 Base-Backbone interact. energy: -0.810 local terms energy: -589.350981 where: bonds (distance) C4'-P energy: -103.832 bonds (distance) P-C4' energy: -112.545 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -83.247 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: 5, replica: 3 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1870.723808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.723808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.723808 (E_RNA) where: Base-Base interactions energy: -1269.454 where: short stacking energy: -547.183 Base-Backbone interact. energy: -2.314 local terms energy: -598.956251 where: bonds (distance) C4'-P energy: -100.254 bonds (distance) P-C4' energy: -115.035 flat angles C4'-P-C4' energy: -133.764 flat angles P-C4'-P energy: -77.849 tors. eta vs tors. theta energy: -172.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1627.308910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.308910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.308910 (E_RNA) where: Base-Base interactions energy: -1071.554 where: short stacking energy: -469.639 Base-Backbone interact. energy: -2.736 local terms energy: -553.018667 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -102.584 flat angles C4'-P-C4' energy: -131.287 flat angles P-C4'-P energy: -85.803 tors. eta vs tors. theta energy: -137.027 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: 129 Temperature: 1.200000 Total energy: -1367.434869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.434869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.434869 (E_RNA) where: Base-Base interactions energy: -896.626 where: short stacking energy: -416.132 Base-Backbone interact. energy: 2.162 local terms energy: -472.970965 where: bonds (distance) C4'-P energy: -95.482 bonds (distance) P-C4' energy: -107.328 flat angles C4'-P-C4' energy: -111.821 flat angles P-C4'-P energy: -70.243 tors. eta vs tors. theta energy: -88.097 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: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1208.230221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.230221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.230221 (E_RNA) where: Base-Base interactions energy: -761.679 where: short stacking energy: -343.966 Base-Backbone interact. energy: 3.359 local terms energy: -449.910478 where: bonds (distance) C4'-P energy: -101.663 bonds (distance) P-C4' energy: -106.182 flat angles C4'-P-C4' energy: -98.829 flat angles P-C4'-P energy: -69.378 tors. eta vs tors. theta energy: -73.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -948.813862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.813862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.813862 (E_RNA) where: Base-Base interactions energy: -548.211 where: short stacking energy: -266.488 Base-Backbone interact. energy: -2.747 local terms energy: -397.856340 where: bonds (distance) C4'-P energy: -103.358 bonds (distance) P-C4' energy: -117.207 flat angles C4'-P-C4' energy: -71.733 flat angles P-C4'-P energy: -54.366 tors. eta vs tors. theta energy: -51.193 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: 1 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -740.137821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.137821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.137821 (E_RNA) where: Base-Base interactions energy: -376.310 where: short stacking energy: -200.381 Base-Backbone interact. energy: 3.550 local terms energy: -367.377730 where: bonds (distance) C4'-P energy: -93.565 bonds (distance) P-C4' energy: -107.849 flat angles C4'-P-C4' energy: -94.123 flat angles P-C4'-P energy: -61.259 tors. eta vs tors. theta energy: -10.581 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: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -2278.812409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.812409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.812409 (E_RNA) where: Base-Base interactions energy: -1586.120 where: short stacking energy: -646.786 Base-Backbone interact. energy: 0.421 local terms energy: -693.113507 where: bonds (distance) C4'-P energy: -118.003 bonds (distance) P-C4' energy: -128.835 flat angles C4'-P-C4' energy: -140.188 flat angles P-C4'-P energy: -100.793 tors. eta vs tors. theta energy: -205.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2105.203792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.203792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.203792 (E_RNA) where: Base-Base interactions energy: -1480.146 where: short stacking energy: -597.632 Base-Backbone interact. energy: -0.085 local terms energy: -624.971817 where: bonds (distance) C4'-P energy: -113.118 bonds (distance) P-C4' energy: -122.644 flat angles C4'-P-C4' energy: -132.949 flat angles P-C4'-P energy: -89.704 tors. eta vs tors. theta energy: -166.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2073.429325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.429325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.429325 (E_RNA) where: Base-Base interactions energy: -1436.461 where: short stacking energy: -573.263 Base-Backbone interact. energy: -4.541 local terms energy: -632.427862 where: bonds (distance) C4'-P energy: -120.723 bonds (distance) P-C4' energy: -121.608 flat angles C4'-P-C4' energy: -132.204 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -176.944 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: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1897.774052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.774052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.774052 (E_RNA) where: Base-Base interactions energy: -1314.363 where: short stacking energy: -539.719 Base-Backbone interact. energy: -1.157 local terms energy: -582.253720 where: bonds (distance) C4'-P energy: -107.560 bonds (distance) P-C4' energy: -113.323 flat angles C4'-P-C4' energy: -119.807 flat angles P-C4'-P energy: -75.689 tors. eta vs tors. theta energy: -165.875 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: 3 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1826.783099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.783099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.783099 (E_RNA) where: Base-Base interactions energy: -1230.071 where: short stacking energy: -521.551 Base-Backbone interact. energy: -0.695 local terms energy: -596.017392 where: bonds (distance) C4'-P energy: -117.561 bonds (distance) P-C4' energy: -113.544 flat angles C4'-P-C4' energy: -117.768 flat angles P-C4'-P energy: -87.729 tors. eta vs tors. theta energy: -159.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1600.386596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.386596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.386596 (E_RNA) where: Base-Base interactions energy: -1050.196 where: short stacking energy: -459.090 Base-Backbone interact. energy: -0.130 local terms energy: -550.061254 where: bonds (distance) C4'-P energy: -110.428 bonds (distance) P-C4' energy: -120.020 flat angles C4'-P-C4' energy: -115.235 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -127.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1397.666264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.666264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.666264 (E_RNA) where: Base-Base interactions energy: -917.448 where: short stacking energy: -403.614 Base-Backbone interact. energy: 4.138 local terms energy: -484.356632 where: bonds (distance) C4'-P energy: -103.542 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -69.214 tors. eta vs tors. theta energy: -94.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1184.084500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.084500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.084500 (E_RNA) where: Base-Base interactions energy: -717.038 where: short stacking energy: -327.167 Base-Backbone interact. energy: -1.313 local terms energy: -465.733825 where: bonds (distance) C4'-P energy: -86.716 bonds (distance) P-C4' energy: -124.396 flat angles C4'-P-C4' energy: -111.718 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -72.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -938.298639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.298639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.298639 (E_RNA) where: Base-Base interactions energy: -537.011 where: short stacking energy: -263.623 Base-Backbone interact. energy: -1.539 local terms energy: -399.749320 where: bonds (distance) C4'-P energy: -106.172 bonds (distance) P-C4' energy: -102.259 flat angles C4'-P-C4' energy: -105.249 flat angles P-C4'-P energy: -50.297 tors. eta vs tors. theta energy: -35.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -696.448230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.448230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.448230 (E_RNA) where: Base-Base interactions energy: -356.667 where: short stacking energy: -188.701 Base-Backbone interact. energy: 0.187 local terms energy: -339.968363 where: bonds (distance) C4'-P energy: -80.742 bonds (distance) P-C4' energy: -116.386 flat angles C4'-P-C4' energy: -84.840 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2287.883799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.883799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.883799 (E_RNA) where: Base-Base interactions energy: -1579.505 where: short stacking energy: -651.233 Base-Backbone interact. energy: -3.535 local terms energy: -704.843144 where: bonds (distance) C4'-P energy: -124.206 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -152.491 flat angles P-C4'-P energy: -103.036 tors. eta vs tors. theta energy: -198.355 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: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2149.673758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.673758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.673758 (E_RNA) where: Base-Base interactions energy: -1509.328 where: short stacking energy: -616.645 Base-Backbone interact. energy: -6.218 local terms energy: -634.127940 where: bonds (distance) C4'-P energy: -116.029 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -143.014 flat angles P-C4'-P energy: -88.250 tors. eta vs tors. theta energy: -174.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2070.350744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.350744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.350744 (E_RNA) where: Base-Base interactions energy: -1427.567 where: short stacking energy: -588.925 Base-Backbone interact. energy: -0.552 local terms energy: -642.232026 where: bonds (distance) C4'-P energy: -125.594 bonds (distance) P-C4' energy: -108.956 flat angles C4'-P-C4' energy: -132.892 flat angles P-C4'-P energy: -95.394 tors. eta vs tors. theta energy: -179.396 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: 3 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1904.785881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.785881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.785881 (E_RNA) where: Base-Base interactions energy: -1325.234 where: short stacking energy: -575.009 Base-Backbone interact. energy: -2.538 local terms energy: -577.013831 where: bonds (distance) C4'-P energy: -109.097 bonds (distance) P-C4' energy: -90.851 flat angles C4'-P-C4' energy: -126.356 flat angles P-C4'-P energy: -87.326 tors. eta vs tors. theta energy: -163.383 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: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1860.209598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.209598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.209598 (E_RNA) where: Base-Base interactions energy: -1266.951 where: short stacking energy: -504.859 Base-Backbone interact. energy: -1.576 local terms energy: -591.682789 where: bonds (distance) C4'-P energy: -120.968 bonds (distance) P-C4' energy: -110.543 flat angles C4'-P-C4' energy: -129.726 flat angles P-C4'-P energy: -70.934 tors. eta vs tors. theta energy: -159.511 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: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1652.299839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.299839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.299839 (E_RNA) where: Base-Base interactions energy: -1124.468 where: short stacking energy: -496.787 Base-Backbone interact. energy: -2.663 local terms energy: -525.168346 where: bonds (distance) C4'-P energy: -89.182 bonds (distance) P-C4' energy: -101.905 flat angles C4'-P-C4' energy: -114.960 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -133.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1440.284194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.284194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.284194 (E_RNA) where: Base-Base interactions energy: -937.802 where: short stacking energy: -402.533 Base-Backbone interact. energy: 1.589 local terms energy: -504.070410 where: bonds (distance) C4'-P energy: -100.773 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -109.630 flat angles P-C4'-P energy: -92.131 tors. eta vs tors. theta energy: -102.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1316.021381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.021381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.021381 (E_RNA) where: Base-Base interactions energy: -856.593 where: short stacking energy: -360.556 Base-Backbone interact. energy: 1.949 local terms energy: -461.377694 where: bonds (distance) C4'-P energy: -87.357 bonds (distance) P-C4' energy: -121.780 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -80.110 tors. eta vs tors. theta energy: -81.425 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: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -908.558232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.558232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.558232 (E_RNA) where: Base-Base interactions energy: -538.011 where: short stacking energy: -260.819 Base-Backbone interact. energy: 5.682 local terms energy: -376.229787 where: bonds (distance) C4'-P energy: -112.632 bonds (distance) P-C4' energy: -104.182 flat angles C4'-P-C4' energy: -94.896 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -19.225 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: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -737.140582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.140582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.140582 (E_RNA) where: Base-Base interactions energy: -409.536 where: short stacking energy: -208.574 Base-Backbone interact. energy: 2.388 local terms energy: -329.992180 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -98.950 flat angles C4'-P-C4' energy: -93.440 flat angles P-C4'-P energy: -38.949 tors. eta vs tors. theta energy: -1.169 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: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2289.373647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.373647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.373647 (E_RNA) where: Base-Base interactions energy: -1594.877 where: short stacking energy: -645.373 Base-Backbone interact. energy: 0.319 local terms energy: -694.814998 where: bonds (distance) C4'-P energy: -124.923 bonds (distance) P-C4' energy: -131.414 flat angles C4'-P-C4' energy: -144.533 flat angles P-C4'-P energy: -98.530 tors. eta vs tors. theta energy: -195.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2112.243244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.243244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.243244 (E_RNA) where: Base-Base interactions energy: -1480.362 where: short stacking energy: -578.238 Base-Backbone interact. energy: -4.949 local terms energy: -626.932028 where: bonds (distance) C4'-P energy: -109.345 bonds (distance) P-C4' energy: -124.690 flat angles C4'-P-C4' energy: -134.363 flat angles P-C4'-P energy: -88.893 tors. eta vs tors. theta energy: -169.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2036.252140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.252140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.252140 (E_RNA) where: Base-Base interactions energy: -1417.295 where: short stacking energy: -583.685 Base-Backbone interact. energy: 0.417 local terms energy: -619.374166 where: bonds (distance) C4'-P energy: -118.431 bonds (distance) P-C4' energy: -124.196 flat angles C4'-P-C4' energy: -141.318 flat angles P-C4'-P energy: -70.452 tors. eta vs tors. theta energy: -164.978 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: 132 Temperature: 1.050000 Total energy: -1951.717840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.717840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.717840 (E_RNA) where: Base-Base interactions energy: -1324.198 where: short stacking energy: -568.296 Base-Backbone interact. energy: -1.311 local terms energy: -626.208512 where: bonds (distance) C4'-P energy: -104.291 bonds (distance) P-C4' energy: -126.372 flat angles C4'-P-C4' energy: -136.775 flat angles P-C4'-P energy: -89.813 tors. eta vs tors. theta energy: -168.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1889.643102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.643102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.643102 (E_RNA) where: Base-Base interactions energy: -1298.528 where: short stacking energy: -514.802 Base-Backbone interact. energy: -2.290 local terms energy: -588.825005 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -108.555 flat angles C4'-P-C4' energy: -137.369 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -172.561 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: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1641.297224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.297224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.297224 (E_RNA) where: Base-Base interactions energy: -1086.030 where: short stacking energy: -480.195 Base-Backbone interact. energy: -0.882 local terms energy: -554.385351 where: bonds (distance) C4'-P energy: -108.273 bonds (distance) P-C4' energy: -114.521 flat angles C4'-P-C4' energy: -123.434 flat angles P-C4'-P energy: -80.398 tors. eta vs tors. theta energy: -127.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1497.458021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.458021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.458021 (E_RNA) where: Base-Base interactions energy: -982.384 where: short stacking energy: -416.242 Base-Backbone interact. energy: -2.528 local terms energy: -512.545497 where: bonds (distance) C4'-P energy: -99.942 bonds (distance) P-C4' energy: -106.810 flat angles C4'-P-C4' energy: -111.646 flat angles P-C4'-P energy: -76.760 tors. eta vs tors. theta energy: -117.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1205.456034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.456034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.456034 (E_RNA) where: Base-Base interactions energy: -750.712 where: short stacking energy: -311.476 Base-Backbone interact. energy: -1.420 local terms energy: -453.323738 where: bonds (distance) C4'-P energy: -105.837 bonds (distance) P-C4' energy: -116.084 flat angles C4'-P-C4' energy: -108.493 flat angles P-C4'-P energy: -68.472 tors. eta vs tors. theta energy: -54.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -922.455648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.455648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.455648 (E_RNA) where: Base-Base interactions energy: -516.416 where: short stacking energy: -249.997 Base-Backbone interact. energy: -1.682 local terms energy: -404.357516 where: bonds (distance) C4'-P energy: -84.402 bonds (distance) P-C4' energy: -99.875 flat angles C4'-P-C4' energy: -111.707 flat angles P-C4'-P energy: -75.788 tors. eta vs tors. theta energy: -32.586 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: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -718.348766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.348766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.348766 (E_RNA) where: Base-Base interactions energy: -367.510 where: short stacking energy: -203.437 Base-Backbone interact. energy: 0.117 local terms energy: -350.955969 where: bonds (distance) C4'-P energy: -98.372 bonds (distance) P-C4' energy: -95.042 flat angles C4'-P-C4' energy: -104.786 flat angles P-C4'-P energy: -48.101 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2276.967157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.967157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.967157 (E_RNA) where: Base-Base interactions energy: -1592.170 where: short stacking energy: -651.439 Base-Backbone interact. energy: -0.922 local terms energy: -683.875057 where: bonds (distance) C4'-P energy: -130.677 bonds (distance) P-C4' energy: -109.146 flat angles C4'-P-C4' energy: -147.159 flat angles P-C4'-P energy: -101.610 tors. eta vs tors. theta energy: -195.283 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: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2114.833841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.833841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.833841 (E_RNA) where: Base-Base interactions energy: -1490.512 where: short stacking energy: -593.833 Base-Backbone interact. energy: -3.531 local terms energy: -620.790738 where: bonds (distance) C4'-P energy: -119.081 bonds (distance) P-C4' energy: -120.930 flat angles C4'-P-C4' energy: -129.489 flat angles P-C4'-P energy: -83.232 tors. eta vs tors. theta energy: -168.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2072.020684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.020684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.020684 (E_RNA) where: Base-Base interactions energy: -1449.564 where: short stacking energy: -599.241 Base-Backbone interact. energy: -2.691 local terms energy: -619.765182 where: bonds (distance) C4'-P energy: -97.679 bonds (distance) P-C4' energy: -116.520 flat angles C4'-P-C4' energy: -141.330 flat angles P-C4'-P energy: -89.500 tors. eta vs tors. theta energy: -174.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1936.087952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.087952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.087952 (E_RNA) where: Base-Base interactions energy: -1304.717 where: short stacking energy: -554.791 Base-Backbone interact. energy: -1.739 local terms energy: -629.631839 where: bonds (distance) C4'-P energy: -109.915 bonds (distance) P-C4' energy: -122.515 flat angles C4'-P-C4' energy: -133.388 flat angles P-C4'-P energy: -97.706 tors. eta vs tors. theta energy: -166.109 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: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1875.262336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.262336 (E_RNA) where: Base-Base interactions energy: -1303.391 where: short stacking energy: -516.959 Base-Backbone interact. energy: -2.358 local terms energy: -569.513372 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -129.317 flat angles P-C4'-P energy: -89.440 tors. eta vs tors. theta energy: -149.317 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: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1601.519182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.519182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.519182 (E_RNA) where: Base-Base interactions energy: -1055.589 where: short stacking energy: -433.330 Base-Backbone interact. energy: -1.762 local terms energy: -544.168066 where: bonds (distance) C4'-P energy: -111.288 bonds (distance) P-C4' energy: -114.331 flat angles C4'-P-C4' energy: -113.871 flat angles P-C4'-P energy: -92.515 tors. eta vs tors. theta energy: -112.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1510.612192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.612192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.612192 (E_RNA) where: Base-Base interactions energy: -1002.429 where: short stacking energy: -443.918 Base-Backbone interact. energy: -0.919 local terms energy: -507.264450 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -123.155 flat angles C4'-P-C4' energy: -107.391 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -114.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1162.582547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.582547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.582547 (E_RNA) where: Base-Base interactions energy: -728.904 where: short stacking energy: -317.503 Base-Backbone interact. energy: 3.958 local terms energy: -437.636087 where: bonds (distance) C4'-P energy: -110.311 bonds (distance) P-C4' energy: -111.180 flat angles C4'-P-C4' energy: -86.085 flat angles P-C4'-P energy: -77.951 tors. eta vs tors. theta energy: -52.110 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: 9, replica: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -956.854487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.854487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.854487 (E_RNA) where: Base-Base interactions energy: -581.053 where: short stacking energy: -292.348 Base-Backbone interact. energy: 0.361 local terms energy: -376.161969 where: bonds (distance) C4'-P energy: -114.180 bonds (distance) P-C4' energy: -103.612 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -50.733 tors. eta vs tors. theta energy: -38.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -756.611624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.611624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.611624 (E_RNA) where: Base-Base interactions energy: -388.761 where: short stacking energy: -202.816 Base-Backbone interact. energy: 0.956 local terms energy: -368.806600 where: bonds (distance) C4'-P energy: -104.901 bonds (distance) P-C4' energy: -102.570 flat angles C4'-P-C4' energy: -93.979 flat angles P-C4'-P energy: -62.062 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2277.531423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.531423 (E_RNA) where: Base-Base interactions energy: -1566.836 where: short stacking energy: -646.724 Base-Backbone interact. energy: -1.080 local terms energy: -709.616258 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -137.539 flat angles C4'-P-C4' energy: -146.776 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -192.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2148.382334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.382334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.382334 (E_RNA) where: Base-Base interactions energy: -1490.470 where: short stacking energy: -615.079 Base-Backbone interact. energy: -5.061 local terms energy: -652.850954 where: bonds (distance) C4'-P energy: -123.998 bonds (distance) P-C4' energy: -101.593 flat angles C4'-P-C4' energy: -145.104 flat angles P-C4'-P energy: -103.311 tors. eta vs tors. theta energy: -178.845 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: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2064.100398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.100398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.100398 (E_RNA) where: Base-Base interactions energy: -1432.822 where: short stacking energy: -588.158 Base-Backbone interact. energy: -1.542 local terms energy: -629.735937 where: bonds (distance) C4'-P energy: -109.401 bonds (distance) P-C4' energy: -124.852 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -82.068 tors. eta vs tors. theta energy: -173.107 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: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1891.476021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.476021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.476021 (E_RNA) where: Base-Base interactions energy: -1288.924 where: short stacking energy: -518.567 Base-Backbone interact. energy: -3.237 local terms energy: -599.314405 where: bonds (distance) C4'-P energy: -116.123 bonds (distance) P-C4' energy: -104.694 flat angles C4'-P-C4' energy: -139.638 flat angles P-C4'-P energy: -85.778 tors. eta vs tors. theta energy: -153.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1907.001181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.001181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.001181 (E_RNA) where: Base-Base interactions energy: -1338.759 where: short stacking energy: -531.349 Base-Backbone interact. energy: -4.073 local terms energy: -564.169001 where: bonds (distance) C4'-P energy: -110.313 bonds (distance) P-C4' energy: -96.091 flat angles C4'-P-C4' energy: -126.980 flat angles P-C4'-P energy: -83.874 tors. eta vs tors. theta energy: -146.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1619.175038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.175038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.175038 (E_RNA) where: Base-Base interactions energy: -1075.421 where: short stacking energy: -475.326 Base-Backbone interact. energy: -0.906 local terms energy: -542.848654 where: bonds (distance) C4'-P energy: -82.767 bonds (distance) P-C4' energy: -116.937 flat angles C4'-P-C4' energy: -124.662 flat angles P-C4'-P energy: -83.614 tors. eta vs tors. theta energy: -134.869 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: 9 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1493.812071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.812071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.812071 (E_RNA) where: Base-Base interactions energy: -999.068 where: short stacking energy: -423.455 Base-Backbone interact. energy: 3.032 local terms energy: -497.775627 where: bonds (distance) C4'-P energy: -104.584 bonds (distance) P-C4' energy: -103.669 flat angles C4'-P-C4' energy: -124.067 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -97.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1167.619613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.619613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.619613 (E_RNA) where: Base-Base interactions energy: -733.732 where: short stacking energy: -316.576 Base-Backbone interact. energy: -3.197 local terms energy: -430.691357 where: bonds (distance) C4'-P energy: -94.821 bonds (distance) P-C4' energy: -99.776 flat angles C4'-P-C4' energy: -118.422 flat angles P-C4'-P energy: -55.397 tors. eta vs tors. theta energy: -62.275 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: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -932.104585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.104585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.104585 (E_RNA) where: Base-Base interactions energy: -550.320 where: short stacking energy: -248.263 Base-Backbone interact. energy: 1.972 local terms energy: -383.756514 where: bonds (distance) C4'-P energy: -83.713 bonds (distance) P-C4' energy: -116.486 flat angles C4'-P-C4' energy: -93.088 flat angles P-C4'-P energy: -59.905 tors. eta vs tors. theta energy: -30.565 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: 1 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -796.783410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.783410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.783410 (E_RNA) where: Base-Base interactions energy: -429.966 where: short stacking energy: -250.346 Base-Backbone interact. energy: -1.270 local terms energy: -365.546778 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -115.257 flat angles C4'-P-C4' energy: -79.495 flat angles P-C4'-P energy: -41.196 tors. eta vs tors. theta energy: -42.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2329.253291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.253291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.253291 (E_RNA) where: Base-Base interactions energy: -1618.949 where: short stacking energy: -677.108 Base-Backbone interact. energy: -1.810 local terms energy: -708.493498 where: bonds (distance) C4'-P energy: -123.606 bonds (distance) P-C4' energy: -127.627 flat angles C4'-P-C4' energy: -149.566 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -207.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2113.797450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.797450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.797450 (E_RNA) where: Base-Base interactions energy: -1465.339 where: short stacking energy: -598.939 Base-Backbone interact. energy: -6.446 local terms energy: -642.012719 where: bonds (distance) C4'-P energy: -122.843 bonds (distance) P-C4' energy: -124.796 flat angles C4'-P-C4' energy: -139.903 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: -169.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2051.133042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.133042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.133042 (E_RNA) where: Base-Base interactions energy: -1431.539 where: short stacking energy: -593.085 Base-Backbone interact. energy: -0.218 local terms energy: -619.376501 where: bonds (distance) C4'-P energy: -113.222 bonds (distance) P-C4' energy: -124.893 flat angles C4'-P-C4' energy: -138.464 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -165.127 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: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1958.558647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.558647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.558647 (E_RNA) where: Base-Base interactions energy: -1352.086 where: short stacking energy: -547.264 Base-Backbone interact. energy: -4.705 local terms energy: -601.767056 where: bonds (distance) C4'-P energy: -115.569 bonds (distance) P-C4' energy: -123.200 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -81.658 tors. eta vs tors. theta energy: -157.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1862.768171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.768171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.768171 (E_RNA) where: Base-Base interactions energy: -1282.086 where: short stacking energy: -532.052 Base-Backbone interact. energy: 0.375 local terms energy: -581.056972 where: bonds (distance) C4'-P energy: -102.222 bonds (distance) P-C4' energy: -115.291 flat angles C4'-P-C4' energy: -124.917 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -159.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1616.949212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.949212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.949212 (E_RNA) where: Base-Base interactions energy: -1073.808 where: short stacking energy: -461.778 Base-Backbone interact. energy: -0.515 local terms energy: -542.625912 where: bonds (distance) C4'-P energy: -108.670 bonds (distance) P-C4' energy: -111.860 flat angles C4'-P-C4' energy: -129.960 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -126.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1491.272076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.272076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.272076 (E_RNA) where: Base-Base interactions energy: -994.532 where: short stacking energy: -420.173 Base-Backbone interact. energy: 2.179 local terms energy: -498.919297 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -103.047 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -115.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1157.333525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.333525 (E_RNA) where: Base-Base interactions energy: -724.257 where: short stacking energy: -325.719 Base-Backbone interact. energy: 3.152 local terms energy: -436.228368 where: bonds (distance) C4'-P energy: -104.040 bonds (distance) P-C4' energy: -92.838 flat angles C4'-P-C4' energy: -104.792 flat angles P-C4'-P energy: -71.812 tors. eta vs tors. theta energy: -62.747 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: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -931.975613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.975613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.975613 (E_RNA) where: Base-Base interactions energy: -538.465 where: short stacking energy: -272.016 Base-Backbone interact. energy: 1.260 local terms energy: -394.771156 where: bonds (distance) C4'-P energy: -104.158 bonds (distance) P-C4' energy: -93.288 flat angles C4'-P-C4' energy: -90.675 flat angles P-C4'-P energy: -68.926 tors. eta vs tors. theta energy: -37.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -749.364582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.364582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.364582 (E_RNA) where: Base-Base interactions energy: -402.884 where: short stacking energy: -204.564 Base-Backbone interact. energy: 0.637 local terms energy: -347.117685 where: bonds (distance) C4'-P energy: -84.954 bonds (distance) P-C4' energy: -117.652 flat angles C4'-P-C4' energy: -86.623 flat angles P-C4'-P energy: -38.014 tors. eta vs tors. theta energy: -19.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2290.738368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.738368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.738368 (E_RNA) where: Base-Base interactions energy: -1598.816 where: short stacking energy: -656.224 Base-Backbone interact. energy: -0.971 local terms energy: -690.951209 where: bonds (distance) C4'-P energy: -126.774 bonds (distance) P-C4' energy: -122.924 flat angles C4'-P-C4' energy: -142.433 flat angles P-C4'-P energy: -93.756 tors. eta vs tors. theta energy: -205.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2121.698216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.698216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.698216 (E_RNA) where: Base-Base interactions energy: -1471.662 where: short stacking energy: -574.948 Base-Backbone interact. energy: -2.776 local terms energy: -647.259693 where: bonds (distance) C4'-P energy: -118.984 bonds (distance) P-C4' energy: -126.379 flat angles C4'-P-C4' energy: -143.950 flat angles P-C4'-P energy: -87.673 tors. eta vs tors. theta energy: -170.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2070.466305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.466305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.466305 (E_RNA) where: Base-Base interactions energy: -1421.589 where: short stacking energy: -586.044 Base-Backbone interact. energy: -1.400 local terms energy: -647.477183 where: bonds (distance) C4'-P energy: -126.174 bonds (distance) P-C4' energy: -128.596 flat angles C4'-P-C4' energy: -132.933 flat angles P-C4'-P energy: -84.184 tors. eta vs tors. theta energy: -175.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2010.000801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.000801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.000801 (E_RNA) where: Base-Base interactions energy: -1390.162 where: short stacking energy: -537.291 Base-Backbone interact. energy: -0.630 local terms energy: -619.209288 where: bonds (distance) C4'-P energy: -114.195 bonds (distance) P-C4' energy: -120.269 flat angles C4'-P-C4' energy: -134.536 flat angles P-C4'-P energy: -78.695 tors. eta vs tors. theta energy: -171.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1826.184832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.184832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.184832 (E_RNA) where: Base-Base interactions energy: -1252.724 where: short stacking energy: -522.246 Base-Backbone interact. energy: -2.374 local terms energy: -571.086079 where: bonds (distance) C4'-P energy: -106.485 bonds (distance) P-C4' energy: -98.894 flat angles C4'-P-C4' energy: -122.605 flat angles P-C4'-P energy: -83.084 tors. eta vs tors. theta energy: -160.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1649.686999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.686999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.686999 (E_RNA) where: Base-Base interactions energy: -1119.738 where: short stacking energy: -481.503 Base-Backbone interact. energy: 1.060 local terms energy: -531.008622 where: bonds (distance) C4'-P energy: -105.424 bonds (distance) P-C4' energy: -95.732 flat angles C4'-P-C4' energy: -122.108 flat angles P-C4'-P energy: -82.665 tors. eta vs tors. theta energy: -125.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1462.540473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.540473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.540473 (E_RNA) where: Base-Base interactions energy: -962.356 where: short stacking energy: -420.325 Base-Backbone interact. energy: 0.006 local terms energy: -500.189976 where: bonds (distance) C4'-P energy: -120.959 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -99.745 flat angles P-C4'-P energy: -64.396 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: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1181.840777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.840777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.840777 (E_RNA) where: Base-Base interactions energy: -748.648 where: short stacking energy: -341.549 Base-Backbone interact. energy: 3.849 local terms energy: -437.041205 where: bonds (distance) C4'-P energy: -98.784 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -96.890 flat angles P-C4'-P energy: -77.200 tors. eta vs tors. theta energy: -63.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -986.532917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.532917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.532917 (E_RNA) where: Base-Base interactions energy: -582.669 where: short stacking energy: -290.152 Base-Backbone interact. energy: -2.340 local terms energy: -401.523951 where: bonds (distance) C4'-P energy: -102.904 bonds (distance) P-C4' energy: -94.466 flat angles C4'-P-C4' energy: -95.905 flat angles P-C4'-P energy: -61.229 tors. eta vs tors. theta energy: -47.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -717.708780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.708780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.708780 (E_RNA) where: Base-Base interactions energy: -345.454 where: short stacking energy: -189.132 Base-Backbone interact. energy: 2.159 local terms energy: -374.413999 where: bonds (distance) C4'-P energy: -100.843 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -104.364 flat angles P-C4'-P energy: -56.414 tors. eta vs tors. theta energy: -8.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -2293.880954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.880954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.880954 (E_RNA) where: Base-Base interactions energy: -1590.729 where: short stacking energy: -637.394 Base-Backbone interact. energy: 0.470 local terms energy: -703.621249 where: bonds (distance) C4'-P energy: -131.523 bonds (distance) P-C4' energy: -128.799 flat angles C4'-P-C4' energy: -157.900 flat angles P-C4'-P energy: -95.255 tors. eta vs tors. theta energy: -190.143 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: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2168.007057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.007057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.007057 (E_RNA) where: Base-Base interactions energy: -1509.335 where: short stacking energy: -615.447 Base-Backbone interact. energy: -4.264 local terms energy: -654.408357 where: bonds (distance) C4'-P energy: -112.595 bonds (distance) P-C4' energy: -125.466 flat angles C4'-P-C4' energy: -138.033 flat angles P-C4'-P energy: -102.635 tors. eta vs tors. theta energy: -175.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2048.242864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.242864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.242864 (E_RNA) where: Base-Base interactions energy: -1426.057 where: short stacking energy: -582.341 Base-Backbone interact. energy: -0.441 local terms energy: -621.745110 where: bonds (distance) C4'-P energy: -122.581 bonds (distance) P-C4' energy: -105.879 flat angles C4'-P-C4' energy: -128.125 flat angles P-C4'-P energy: -92.825 tors. eta vs tors. theta energy: -172.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1967.698753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.698753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.698753 (E_RNA) where: Base-Base interactions energy: -1370.300 where: short stacking energy: -551.874 Base-Backbone interact. energy: -3.364 local terms energy: -594.034647 where: bonds (distance) C4'-P energy: -116.196 bonds (distance) P-C4' energy: -116.773 flat angles C4'-P-C4' energy: -112.999 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -162.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1857.999988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.999988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.999988 (E_RNA) where: Base-Base interactions energy: -1253.345 where: short stacking energy: -528.629 Base-Backbone interact. energy: -1.891 local terms energy: -602.764558 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -101.846 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -86.062 tors. eta vs tors. theta energy: -157.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1641.891747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.891747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.891747 (E_RNA) where: Base-Base interactions energy: -1101.602 where: short stacking energy: -458.806 Base-Backbone interact. energy: 0.231 local terms energy: -540.520430 where: bonds (distance) C4'-P energy: -124.706 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -121.178 flat angles P-C4'-P energy: -75.384 tors. eta vs tors. theta energy: -117.542 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: 9 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1467.465803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.465803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.465803 (E_RNA) where: Base-Base interactions energy: -957.343 where: short stacking energy: -433.807 Base-Backbone interact. energy: -1.377 local terms energy: -508.745625 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -101.757 flat angles C4'-P-C4' energy: -113.016 flat angles P-C4'-P energy: -72.299 tors. eta vs tors. theta energy: -109.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1175.293360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.293360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.293360 (E_RNA) where: Base-Base interactions energy: -731.514 where: short stacking energy: -311.409 Base-Backbone interact. energy: 3.206 local terms energy: -446.985302 where: bonds (distance) C4'-P energy: -99.957 bonds (distance) P-C4' energy: -107.911 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: -74.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1001.638550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.638550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.638550 (E_RNA) where: Base-Base interactions energy: -602.464 where: short stacking energy: -279.888 Base-Backbone interact. energy: -2.543 local terms energy: -396.631378 where: bonds (distance) C4'-P energy: -93.175 bonds (distance) P-C4' energy: -101.490 flat angles C4'-P-C4' energy: -101.215 flat angles P-C4'-P energy: -65.856 tors. eta vs tors. theta energy: -34.895 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: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -723.952307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.952307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.952307 (E_RNA) where: Base-Base interactions energy: -386.459 where: short stacking energy: -184.000 Base-Backbone interact. energy: -1.103 local terms energy: -336.389929 where: bonds (distance) C4'-P energy: -97.053 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -69.518 flat angles P-C4'-P energy: -51.492 tors. eta vs tors. theta energy: -22.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2298.870263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.870263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.870263 (E_RNA) where: Base-Base interactions energy: -1622.529 where: short stacking energy: -649.224 Base-Backbone interact. energy: 0.509 local terms energy: -676.850266 where: bonds (distance) C4'-P energy: -131.053 bonds (distance) P-C4' energy: -128.809 flat angles C4'-P-C4' energy: -137.765 flat angles P-C4'-P energy: -83.881 tors. eta vs tors. theta energy: -195.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2160.926861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.926861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.926861 (E_RNA) where: Base-Base interactions energy: -1502.448 where: short stacking energy: -592.292 Base-Backbone interact. energy: -4.284 local terms energy: -654.194127 where: bonds (distance) C4'-P energy: -111.689 bonds (distance) P-C4' energy: -126.424 flat angles C4'-P-C4' energy: -145.165 flat angles P-C4'-P energy: -86.596 tors. eta vs tors. theta energy: -184.320 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: 8 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2105.716988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.716988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.716988 (E_RNA) where: Base-Base interactions energy: -1488.653 where: short stacking energy: -602.257 Base-Backbone interact. energy: -1.705 local terms energy: -615.358859 where: bonds (distance) C4'-P energy: -99.535 bonds (distance) P-C4' energy: -126.625 flat angles C4'-P-C4' energy: -126.632 flat angles P-C4'-P energy: -84.202 tors. eta vs tors. theta energy: -178.366 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: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1946.870704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.870704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.870704 (E_RNA) where: Base-Base interactions energy: -1343.886 where: short stacking energy: -565.213 Base-Backbone interact. energy: 5.978 local terms energy: -608.962751 where: bonds (distance) C4'-P energy: -115.829 bonds (distance) P-C4' energy: -122.179 flat angles C4'-P-C4' energy: -123.264 flat angles P-C4'-P energy: -86.103 tors. eta vs tors. theta energy: -161.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1841.324694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.324694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.324694 (E_RNA) where: Base-Base interactions energy: -1244.220 where: short stacking energy: -523.854 Base-Backbone interact. energy: -2.296 local terms energy: -594.808212 where: bonds (distance) C4'-P energy: -114.604 bonds (distance) P-C4' energy: -102.374 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -169.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1635.470506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.470506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.470506 (E_RNA) where: Base-Base interactions energy: -1103.251 where: short stacking energy: -448.772 Base-Backbone interact. energy: -1.722 local terms energy: -530.496994 where: bonds (distance) C4'-P energy: -102.901 bonds (distance) P-C4' energy: -112.099 flat angles C4'-P-C4' energy: -113.579 flat angles P-C4'-P energy: -82.228 tors. eta vs tors. theta energy: -119.690 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1471.362361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.362361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.362361 (E_RNA) where: Base-Base interactions energy: -964.199 where: short stacking energy: -424.960 Base-Backbone interact. energy: 1.870 local terms energy: -509.033212 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -106.290 flat angles C4'-P-C4' energy: -121.448 flat angles P-C4'-P energy: -76.193 tors. eta vs tors. theta energy: -107.171 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: 4 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1137.315128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.315128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.315128 (E_RNA) where: Base-Base interactions energy: -687.497 where: short stacking energy: -292.361 Base-Backbone interact. energy: 0.863 local terms energy: -450.680736 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -119.692 flat angles C4'-P-C4' energy: -103.580 flat angles P-C4'-P energy: -68.674 tors. eta vs tors. theta energy: -51.046 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: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -983.976995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.976995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.976995 (E_RNA) where: Base-Base interactions energy: -601.080 where: short stacking energy: -265.620 Base-Backbone interact. energy: 0.335 local terms energy: -383.232278 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -95.697 flat angles C4'-P-C4' energy: -88.110 flat angles P-C4'-P energy: -66.272 tors. eta vs tors. theta energy: -34.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -744.381489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.381489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.381489 (E_RNA) where: Base-Base interactions energy: -385.541 where: short stacking energy: -211.649 Base-Backbone interact. energy: 1.472 local terms energy: -360.311530 where: bonds (distance) C4'-P energy: -105.661 bonds (distance) P-C4' energy: -90.847 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -50.413 tors. eta vs tors. theta energy: -19.967 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: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2282.321848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.321848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.321848 (E_RNA) where: Base-Base interactions energy: -1612.837 where: short stacking energy: -652.454 Base-Backbone interact. energy: -0.084 local terms energy: -669.400442 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -114.295 flat angles C4'-P-C4' energy: -138.145 flat angles P-C4'-P energy: -107.014 tors. eta vs tors. theta energy: -197.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2153.209816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.209816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.209816 (E_RNA) where: Base-Base interactions energy: -1508.193 where: short stacking energy: -573.955 Base-Backbone interact. energy: -3.727 local terms energy: -641.290319 where: bonds (distance) C4'-P energy: -131.044 bonds (distance) P-C4' energy: -105.905 flat angles C4'-P-C4' energy: -140.320 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -172.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2109.831144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.831144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.831144 (E_RNA) where: Base-Base interactions energy: -1493.150 where: short stacking energy: -604.512 Base-Backbone interact. energy: 1.820 local terms energy: -618.500601 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -117.664 flat angles C4'-P-C4' energy: -136.799 flat angles P-C4'-P energy: -81.160 tors. eta vs tors. theta energy: -171.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1919.466921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.466921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.466921 (E_RNA) where: Base-Base interactions energy: -1334.172 where: short stacking energy: -510.588 Base-Backbone interact. energy: -3.305 local terms energy: -581.989486 where: bonds (distance) C4'-P energy: -113.875 bonds (distance) P-C4' energy: -115.448 flat angles C4'-P-C4' energy: -115.986 flat angles P-C4'-P energy: -82.651 tors. eta vs tors. theta energy: -154.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1849.481454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.481454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.481454 (E_RNA) where: Base-Base interactions energy: -1258.199 where: short stacking energy: -521.631 Base-Backbone interact. energy: 2.632 local terms energy: -593.914150 where: bonds (distance) C4'-P energy: -107.070 bonds (distance) P-C4' energy: -118.216 flat angles C4'-P-C4' energy: -123.047 flat angles P-C4'-P energy: -89.692 tors. eta vs tors. theta energy: -155.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1622.593809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.593809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.593809 (E_RNA) where: Base-Base interactions energy: -1098.919 where: short stacking energy: -457.488 Base-Backbone interact. energy: -2.793 local terms energy: -520.881637 where: bonds (distance) C4'-P energy: -99.897 bonds (distance) P-C4' energy: -100.446 flat angles C4'-P-C4' energy: -117.236 flat angles P-C4'-P energy: -78.564 tors. eta vs tors. theta energy: -124.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1483.379091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.379091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.379091 (E_RNA) where: Base-Base interactions energy: -972.753 where: short stacking energy: -434.735 Base-Backbone interact. energy: -1.045 local terms energy: -509.580856 where: bonds (distance) C4'-P energy: -103.418 bonds (distance) P-C4' energy: -95.822 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -80.713 tors. eta vs tors. theta energy: -121.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1153.695658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.695658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.695658 (E_RNA) where: Base-Base interactions energy: -695.374 where: short stacking energy: -340.306 Base-Backbone interact. energy: -0.779 local terms energy: -457.542446 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -110.989 flat angles C4'-P-C4' energy: -102.893 flat angles P-C4'-P energy: -68.819 tors. eta vs tors. theta energy: -72.612 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: 139 Temperature: 1.300000 Total energy: -948.394351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.394351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.394351 (E_RNA) where: Base-Base interactions energy: -522.494 where: short stacking energy: -235.093 Base-Backbone interact. energy: -2.965 local terms energy: -422.935417 where: bonds (distance) C4'-P energy: -109.880 bonds (distance) P-C4' energy: -117.428 flat angles C4'-P-C4' energy: -90.099 flat angles P-C4'-P energy: -61.625 tors. eta vs tors. theta energy: -43.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -730.195632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.195632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.195632 (E_RNA) where: Base-Base interactions energy: -364.251 where: short stacking energy: -205.952 Base-Backbone interact. energy: 1.993 local terms energy: -367.938452 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -87.987 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -53.724 tors. eta vs tors. theta energy: -17.347 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: 6 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2300.810157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.810157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.810157 (E_RNA) where: Base-Base interactions energy: -1593.638 where: short stacking energy: -648.976 Base-Backbone interact. energy: -3.114 local terms energy: -704.058827 where: bonds (distance) C4'-P energy: -126.348 bonds (distance) P-C4' energy: -131.849 flat angles C4'-P-C4' energy: -142.513 flat angles P-C4'-P energy: -111.299 tors. eta vs tors. theta energy: -192.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2151.770371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.770371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.770371 (E_RNA) where: Base-Base interactions energy: -1491.709 where: short stacking energy: -610.072 Base-Backbone interact. energy: -3.968 local terms energy: -656.094139 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -114.614 flat angles C4'-P-C4' energy: -143.105 flat angles P-C4'-P energy: -100.914 tors. eta vs tors. theta energy: -179.091 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: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2074.334509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.334509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.334509 (E_RNA) where: Base-Base interactions energy: -1436.614 where: short stacking energy: -571.416 Base-Backbone interact. energy: 1.112 local terms energy: -638.832746 where: bonds (distance) C4'-P energy: -124.179 bonds (distance) P-C4' energy: -117.759 flat angles C4'-P-C4' energy: -138.223 flat angles P-C4'-P energy: -85.966 tors. eta vs tors. theta energy: -172.706 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: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1877.070641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.070641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.070641 (E_RNA) where: Base-Base interactions energy: -1282.728 where: short stacking energy: -537.968 Base-Backbone interact. energy: -3.030 local terms energy: -591.312486 where: bonds (distance) C4'-P energy: -118.371 bonds (distance) P-C4' energy: -106.770 flat angles C4'-P-C4' energy: -134.973 flat angles P-C4'-P energy: -85.254 tors. eta vs tors. theta energy: -145.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1854.416001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.416001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.416001 (E_RNA) where: Base-Base interactions energy: -1269.423 where: short stacking energy: -536.675 Base-Backbone interact. energy: 5.396 local terms energy: -590.389232 where: bonds (distance) C4'-P energy: -108.335 bonds (distance) P-C4' energy: -115.760 flat angles C4'-P-C4' energy: -119.484 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -163.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1610.767182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.767182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.767182 (E_RNA) where: Base-Base interactions energy: -1085.614 where: short stacking energy: -461.845 Base-Backbone interact. energy: 1.305 local terms energy: -526.458309 where: bonds (distance) C4'-P energy: -113.531 bonds (distance) P-C4' energy: -107.588 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -111.937 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1427.390208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.390208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.390208 (E_RNA) where: Base-Base interactions energy: -939.203 where: short stacking energy: -390.595 Base-Backbone interact. energy: 1.419 local terms energy: -489.606864 where: bonds (distance) C4'-P energy: -89.228 bonds (distance) P-C4' energy: -114.719 flat angles C4'-P-C4' energy: -118.052 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: -83.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1129.875616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.875616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.875616 (E_RNA) where: Base-Base interactions energy: -710.232 where: short stacking energy: -327.655 Base-Backbone interact. energy: -2.228 local terms energy: -417.415281 where: bonds (distance) C4'-P energy: -89.643 bonds (distance) P-C4' energy: -95.594 flat angles C4'-P-C4' energy: -100.976 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -65.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -962.467837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.467837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.467837 (E_RNA) where: Base-Base interactions energy: -565.677 where: short stacking energy: -281.736 Base-Backbone interact. energy: -0.666 local terms energy: -396.124879 where: bonds (distance) C4'-P energy: -107.124 bonds (distance) P-C4' energy: -96.229 flat angles C4'-P-C4' energy: -80.121 flat angles P-C4'-P energy: -59.373 tors. eta vs tors. theta energy: -53.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -758.548221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.548221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.548221 (E_RNA) where: Base-Base interactions energy: -414.016 where: short stacking energy: -200.500 Base-Backbone interact. energy: -2.803 local terms energy: -341.728980 where: bonds (distance) C4'-P energy: -90.507 bonds (distance) P-C4' energy: -117.916 flat angles C4'-P-C4' energy: -86.690 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -2286.923404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.923404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.923404 (E_RNA) where: Base-Base interactions energy: -1581.353 where: short stacking energy: -658.501 Base-Backbone interact. energy: -1.577 local terms energy: -703.993432 where: bonds (distance) C4'-P energy: -124.452 bonds (distance) P-C4' energy: -129.043 flat angles C4'-P-C4' energy: -149.309 flat angles P-C4'-P energy: -107.999 tors. eta vs tors. theta energy: -193.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2166.405075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.405075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.405075 (E_RNA) where: Base-Base interactions energy: -1515.252 where: short stacking energy: -609.212 Base-Backbone interact. energy: -2.069 local terms energy: -649.084865 where: bonds (distance) C4'-P energy: -111.113 bonds (distance) P-C4' energy: -122.668 flat angles C4'-P-C4' energy: -137.996 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -174.435 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: 8 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2051.221250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.221250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.221250 (E_RNA) where: Base-Base interactions energy: -1425.061 where: short stacking energy: -580.380 Base-Backbone interact. energy: -1.807 local terms energy: -624.353430 where: bonds (distance) C4'-P energy: -112.239 bonds (distance) P-C4' energy: -124.780 flat angles C4'-P-C4' energy: -124.465 flat angles P-C4'-P energy: -96.076 tors. eta vs tors. theta energy: -166.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1934.827761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.827761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.827761 (E_RNA) where: Base-Base interactions energy: -1365.419 where: short stacking energy: -563.978 Base-Backbone interact. energy: -3.467 local terms energy: -565.942179 where: bonds (distance) C4'-P energy: -105.193 bonds (distance) P-C4' energy: -104.390 flat angles C4'-P-C4' energy: -127.167 flat angles P-C4'-P energy: -85.181 tors. eta vs tors. theta energy: -144.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1874.311695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.311695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.311695 (E_RNA) where: Base-Base interactions energy: -1276.522 where: short stacking energy: -567.533 Base-Backbone interact. energy: -1.149 local terms energy: -596.640908 where: bonds (distance) C4'-P energy: -100.893 bonds (distance) P-C4' energy: -114.438 flat angles C4'-P-C4' energy: -125.034 flat angles P-C4'-P energy: -91.414 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1608.634498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.634498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.634498 (E_RNA) where: Base-Base interactions energy: -1072.934 where: short stacking energy: -471.031 Base-Backbone interact. energy: -0.968 local terms energy: -534.731804 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -104.865 flat angles C4'-P-C4' energy: -121.056 flat angles P-C4'-P energy: -75.001 tors. eta vs tors. theta energy: -128.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1423.782670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.782670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.782670 (E_RNA) where: Base-Base interactions energy: -934.707 where: short stacking energy: -417.516 Base-Backbone interact. energy: -0.848 local terms energy: -488.227104 where: bonds (distance) C4'-P energy: -95.977 bonds (distance) P-C4' energy: -100.152 flat angles C4'-P-C4' energy: -120.691 flat angles P-C4'-P energy: -72.457 tors. eta vs tors. theta energy: -98.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1134.053172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.053172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.053172 (E_RNA) where: Base-Base interactions energy: -712.830 where: short stacking energy: -311.073 Base-Backbone interact. energy: -0.949 local terms energy: -420.274368 where: bonds (distance) C4'-P energy: -92.317 bonds (distance) P-C4' energy: -94.712 flat angles C4'-P-C4' energy: -98.393 flat angles P-C4'-P energy: -62.166 tors. eta vs tors. theta energy: -72.687 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: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -948.261339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.261339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.261339 (E_RNA) where: Base-Base interactions energy: -562.751 where: short stacking energy: -287.427 Base-Backbone interact. energy: 2.145 local terms energy: -387.655820 where: bonds (distance) C4'-P energy: -76.460 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -89.141 flat angles P-C4'-P energy: -67.282 tors. eta vs tors. theta energy: -50.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -757.762627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.762627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.762627 (E_RNA) where: Base-Base interactions energy: -429.463 where: short stacking energy: -222.728 Base-Backbone interact. energy: 0.895 local terms energy: -329.195033 where: bonds (distance) C4'-P energy: -75.945 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -73.814 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -25.715 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: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2280.061742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.061742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.061742 (E_RNA) where: Base-Base interactions energy: -1573.692 where: short stacking energy: -637.790 Base-Backbone interact. energy: 0.355 local terms energy: -706.724162 where: bonds (distance) C4'-P energy: -129.216 bonds (distance) P-C4' energy: -131.460 flat angles C4'-P-C4' energy: -145.690 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -195.784 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: 10 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2147.965924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.965924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.965924 (E_RNA) where: Base-Base interactions energy: -1485.581 where: short stacking energy: -608.363 Base-Backbone interact. energy: -4.837 local terms energy: -657.548680 where: bonds (distance) C4'-P energy: -126.196 bonds (distance) P-C4' energy: -117.484 flat angles C4'-P-C4' energy: -144.351 flat angles P-C4'-P energy: -89.032 tors. eta vs tors. theta energy: -180.485 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: 3, replica: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2093.803146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.803146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.803146 (E_RNA) where: Base-Base interactions energy: -1438.580 where: short stacking energy: -582.310 Base-Backbone interact. energy: -0.632 local terms energy: -654.591277 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -131.244 flat angles C4'-P-C4' energy: -137.142 flat angles P-C4'-P energy: -78.939 tors. eta vs tors. theta energy: -176.265 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: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1954.281562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.281562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.281562 (E_RNA) where: Base-Base interactions energy: -1363.031 where: short stacking energy: -560.205 Base-Backbone interact. energy: 0.588 local terms energy: -591.839249 where: bonds (distance) C4'-P energy: -108.584 bonds (distance) P-C4' energy: -116.004 flat angles C4'-P-C4' energy: -129.307 flat angles P-C4'-P energy: -89.651 tors. eta vs tors. theta energy: -148.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1801.202059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.202059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.202059 (E_RNA) where: Base-Base interactions energy: -1219.138 where: short stacking energy: -554.525 Base-Backbone interact. energy: 0.110 local terms energy: -582.173867 where: bonds (distance) C4'-P energy: -96.522 bonds (distance) P-C4' energy: -119.213 flat angles C4'-P-C4' energy: -125.022 flat angles P-C4'-P energy: -77.090 tors. eta vs tors. theta energy: -164.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1584.831937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.831937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.831937 (E_RNA) where: Base-Base interactions energy: -1064.657 where: short stacking energy: -449.397 Base-Backbone interact. energy: 1.422 local terms energy: -521.596713 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -114.312 flat angles C4'-P-C4' energy: -111.132 flat angles P-C4'-P energy: -76.837 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: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1440.415751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.415751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.415751 (E_RNA) where: Base-Base interactions energy: -936.676 where: short stacking energy: -417.315 Base-Backbone interact. energy: 4.564 local terms energy: -508.303630 where: bonds (distance) C4'-P energy: -106.827 bonds (distance) P-C4' energy: -95.488 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -74.364 tors. eta vs tors. theta energy: -109.929 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: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1175.751084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.751084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.751084 (E_RNA) where: Base-Base interactions energy: -740.289 where: short stacking energy: -335.902 Base-Backbone interact. energy: -0.766 local terms energy: -434.696428 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -97.154 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -74.456 tors. eta vs tors. theta energy: -65.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -959.375650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.375650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.375650 (E_RNA) where: Base-Base interactions energy: -578.187 where: short stacking energy: -264.199 Base-Backbone interact. energy: -3.134 local terms energy: -378.055521 where: bonds (distance) C4'-P energy: -100.329 bonds (distance) P-C4' energy: -92.493 flat angles C4'-P-C4' energy: -92.851 flat angles P-C4'-P energy: -57.153 tors. eta vs tors. theta energy: -35.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -778.733194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.733194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.733194 (E_RNA) where: Base-Base interactions energy: -430.733 where: short stacking energy: -191.542 Base-Backbone interact. energy: 0.062 local terms energy: -348.061633 where: bonds (distance) C4'-P energy: -87.524 bonds (distance) P-C4' energy: -97.705 flat angles C4'-P-C4' energy: -79.596 flat angles P-C4'-P energy: -65.344 tors. eta vs tors. theta energy: -17.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2323.840638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.840638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.840638 (E_RNA) where: Base-Base interactions energy: -1616.726 where: short stacking energy: -685.871 Base-Backbone interact. energy: -0.769 local terms energy: -706.346038 where: bonds (distance) C4'-P energy: -127.221 bonds (distance) P-C4' energy: -120.866 flat angles C4'-P-C4' energy: -151.999 flat angles P-C4'-P energy: -99.184 tors. eta vs tors. theta energy: -207.077 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: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2142.238871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.238871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.238871 (E_RNA) where: Base-Base interactions energy: -1493.930 where: short stacking energy: -575.347 Base-Backbone interact. energy: -3.155 local terms energy: -645.154428 where: bonds (distance) C4'-P energy: -119.461 bonds (distance) P-C4' energy: -132.542 flat angles C4'-P-C4' energy: -123.733 flat angles P-C4'-P energy: -103.276 tors. eta vs tors. theta energy: -166.142 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: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2105.055220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.055220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.055220 (E_RNA) where: Base-Base interactions energy: -1455.741 where: short stacking energy: -596.100 Base-Backbone interact. energy: -2.305 local terms energy: -647.009413 where: bonds (distance) C4'-P energy: -119.914 bonds (distance) P-C4' energy: -126.616 flat angles C4'-P-C4' energy: -133.308 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -180.508 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: 4, replica: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1947.526632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.526632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.526632 (E_RNA) where: Base-Base interactions energy: -1368.085 where: short stacking energy: -547.180 Base-Backbone interact. energy: -3.044 local terms energy: -576.397563 where: bonds (distance) C4'-P energy: -103.185 bonds (distance) P-C4' energy: -104.106 flat angles C4'-P-C4' energy: -133.942 flat angles P-C4'-P energy: -77.825 tors. eta vs tors. theta energy: -157.339 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: 3 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1805.196275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.196275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.196275 (E_RNA) where: Base-Base interactions energy: -1243.224 where: short stacking energy: -526.661 Base-Backbone interact. energy: -1.654 local terms energy: -560.318763 where: bonds (distance) C4'-P energy: -98.012 bonds (distance) P-C4' energy: -98.379 flat angles C4'-P-C4' energy: -124.453 flat angles P-C4'-P energy: -81.361 tors. eta vs tors. theta energy: -158.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1610.491822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.491822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.491822 (E_RNA) where: Base-Base interactions energy: -1061.564 where: short stacking energy: -460.536 Base-Backbone interact. energy: 1.420 local terms energy: -550.347308 where: bonds (distance) C4'-P energy: -111.420 bonds (distance) P-C4' energy: -100.678 flat angles C4'-P-C4' energy: -119.941 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -138.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1441.873082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.873082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.873082 (E_RNA) where: Base-Base interactions energy: -968.786 where: short stacking energy: -446.648 Base-Backbone interact. energy: 0.230 local terms energy: -473.317160 where: bonds (distance) C4'-P energy: -106.193 bonds (distance) P-C4' energy: -88.482 flat angles C4'-P-C4' energy: -109.172 flat angles P-C4'-P energy: -59.238 tors. eta vs tors. theta energy: -110.233 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1128.293561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.293561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.293561 (E_RNA) where: Base-Base interactions energy: -685.064 where: short stacking energy: -329.570 Base-Backbone interact. energy: -1.354 local terms energy: -441.875980 where: bonds (distance) C4'-P energy: -109.226 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -102.955 flat angles P-C4'-P energy: -56.762 tors. eta vs tors. theta energy: -73.008 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: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -961.906530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.906530 (E_RNA) where: Base-Base interactions energy: -554.731 where: short stacking energy: -277.352 Base-Backbone interact. energy: -0.405 local terms energy: -406.770742 where: bonds (distance) C4'-P energy: -98.348 bonds (distance) P-C4' energy: -118.024 flat angles C4'-P-C4' energy: -95.044 flat angles P-C4'-P energy: -54.669 tors. eta vs tors. theta energy: -40.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -730.593122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.593122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.593122 (E_RNA) where: Base-Base interactions energy: -390.420 where: short stacking energy: -198.563 Base-Backbone interact. energy: 5.248 local terms energy: -345.421660 where: bonds (distance) C4'-P energy: -100.593 bonds (distance) P-C4' energy: -88.890 flat angles C4'-P-C4' energy: -114.674 flat angles P-C4'-P energy: -40.958 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2315.659374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.659374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.659374 (E_RNA) where: Base-Base interactions energy: -1631.659 where: short stacking energy: -653.935 Base-Backbone interact. energy: 0.413 local terms energy: -684.413134 where: bonds (distance) C4'-P energy: -119.511 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -141.958 flat angles P-C4'-P energy: -105.363 tors. eta vs tors. theta energy: -188.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2132.291678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.291678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.291678 (E_RNA) where: Base-Base interactions energy: -1507.770 where: short stacking energy: -585.544 Base-Backbone interact. energy: -0.067 local terms energy: -624.455064 where: bonds (distance) C4'-P energy: -114.080 bonds (distance) P-C4' energy: -126.059 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -90.364 tors. eta vs tors. theta energy: -165.815 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: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2044.140593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.140593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.140593 (E_RNA) where: Base-Base interactions energy: -1416.017 where: short stacking energy: -565.224 Base-Backbone interact. energy: -2.015 local terms energy: -626.108582 where: bonds (distance) C4'-P energy: -115.889 bonds (distance) P-C4' energy: -111.020 flat angles C4'-P-C4' energy: -143.799 flat angles P-C4'-P energy: -88.396 tors. eta vs tors. theta energy: -167.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1958.257129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.257129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.257129 (E_RNA) where: Base-Base interactions energy: -1350.515 where: short stacking energy: -529.564 Base-Backbone interact. energy: -1.218 local terms energy: -606.524623 where: bonds (distance) C4'-P energy: -129.019 bonds (distance) P-C4' energy: -112.310 flat angles C4'-P-C4' energy: -127.495 flat angles P-C4'-P energy: -92.389 tors. eta vs tors. theta energy: -145.312 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: 144 Temperature: 1.100000 Total energy: -1786.681013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.681013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.681013 (E_RNA) where: Base-Base interactions energy: -1199.955 where: short stacking energy: -524.410 Base-Backbone interact. energy: -2.331 local terms energy: -584.394913 where: bonds (distance) C4'-P energy: -117.256 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -114.166 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1614.119532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.119532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.119532 (E_RNA) where: Base-Base interactions energy: -1063.593 where: short stacking energy: -467.160 Base-Backbone interact. energy: 0.677 local terms energy: -551.203317 where: bonds (distance) C4'-P energy: -107.443 bonds (distance) P-C4' energy: -116.301 flat angles C4'-P-C4' energy: -121.204 flat angles P-C4'-P energy: -80.932 tors. eta vs tors. theta energy: -125.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1431.420123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.420123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.420123 (E_RNA) where: Base-Base interactions energy: -926.815 where: short stacking energy: -390.119 Base-Backbone interact. energy: 2.572 local terms energy: -507.177276 where: bonds (distance) C4'-P energy: -106.413 bonds (distance) P-C4' energy: -128.197 flat angles C4'-P-C4' energy: -109.986 flat angles P-C4'-P energy: -77.160 tors. eta vs tors. theta energy: -85.421 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: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1128.696674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.696674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.696674 (E_RNA) where: Base-Base interactions energy: -674.555 where: short stacking energy: -326.893 Base-Backbone interact. energy: -1.562 local terms energy: -452.579379 where: bonds (distance) C4'-P energy: -96.721 bonds (distance) P-C4' energy: -107.100 flat angles C4'-P-C4' energy: -103.412 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -74.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -892.454811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.454811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.454811 (E_RNA) where: Base-Base interactions energy: -488.682 where: short stacking energy: -249.849 Base-Backbone interact. energy: -1.944 local terms energy: -401.829247 where: bonds (distance) C4'-P energy: -105.121 bonds (distance) P-C4' energy: -116.104 flat angles C4'-P-C4' energy: -85.877 flat angles P-C4'-P energy: -61.213 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: 1 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -734.674681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.674681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.674681 (E_RNA) where: Base-Base interactions energy: -383.079 where: short stacking energy: -209.707 Base-Backbone interact. energy: 5.170 local terms energy: -356.765607 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -98.265 flat angles C4'-P-C4' energy: -93.254 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -15.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2296.729654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.729654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.729654 (E_RNA) where: Base-Base interactions energy: -1615.289 where: short stacking energy: -657.932 Base-Backbone interact. energy: 0.201 local terms energy: -681.641014 where: bonds (distance) C4'-P energy: -122.910 bonds (distance) P-C4' energy: -115.287 flat angles C4'-P-C4' energy: -143.311 flat angles P-C4'-P energy: -102.366 tors. eta vs tors. theta energy: -197.767 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: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2139.982653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.982653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.982653 (E_RNA) where: Base-Base interactions energy: -1495.683 where: short stacking energy: -601.567 Base-Backbone interact. energy: -4.852 local terms energy: -639.448020 where: bonds (distance) C4'-P energy: -126.340 bonds (distance) P-C4' energy: -117.584 flat angles C4'-P-C4' energy: -137.667 flat angles P-C4'-P energy: -89.923 tors. eta vs tors. theta energy: -167.934 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: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2061.037234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.037234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.037234 (E_RNA) where: Base-Base interactions energy: -1424.521 where: short stacking energy: -582.381 Base-Backbone interact. energy: 0.186 local terms energy: -636.701640 where: bonds (distance) C4'-P energy: -116.986 bonds (distance) P-C4' energy: -119.456 flat angles C4'-P-C4' energy: -135.328 flat angles P-C4'-P energy: -92.647 tors. eta vs tors. theta energy: -172.285 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: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1942.922984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.922984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.922984 (E_RNA) where: Base-Base interactions energy: -1367.662 where: short stacking energy: -542.524 Base-Backbone interact. energy: -3.368 local terms energy: -571.892967 where: bonds (distance) C4'-P energy: -113.641 bonds (distance) P-C4' energy: -103.341 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -85.601 tors. eta vs tors. theta energy: -148.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1786.809542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.809542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.809542 (E_RNA) where: Base-Base interactions energy: -1186.357 where: short stacking energy: -520.894 Base-Backbone interact. energy: -1.433 local terms energy: -599.019732 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -125.431 flat angles C4'-P-C4' energy: -123.207 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -166.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1548.585146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.585146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.585146 (E_RNA) where: Base-Base interactions energy: -1049.083 where: short stacking energy: -433.372 Base-Backbone interact. energy: 1.912 local terms energy: -501.414636 where: bonds (distance) C4'-P energy: -117.201 bonds (distance) P-C4' energy: -108.840 flat angles C4'-P-C4' energy: -95.785 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -107.381 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: 9 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1480.116599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.116599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.116599 (E_RNA) where: Base-Base interactions energy: -973.555 where: short stacking energy: -417.659 Base-Backbone interact. energy: 1.728 local terms energy: -508.289577 where: bonds (distance) C4'-P energy: -106.391 bonds (distance) P-C4' energy: -107.613 flat angles C4'-P-C4' energy: -115.412 flat angles P-C4'-P energy: -76.825 tors. eta vs tors. theta energy: -102.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1132.271790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.271790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.271790 (E_RNA) where: Base-Base interactions energy: -724.222 where: short stacking energy: -346.802 Base-Backbone interact. energy: -3.430 local terms energy: -404.620063 where: bonds (distance) C4'-P energy: -77.473 bonds (distance) P-C4' energy: -96.548 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -66.076 tors. eta vs tors. theta energy: -70.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -922.291929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.291929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.291929 (E_RNA) where: Base-Base interactions energy: -518.392 where: short stacking energy: -268.497 Base-Backbone interact. energy: 4.151 local terms energy: -408.051000 where: bonds (distance) C4'-P energy: -109.633 bonds (distance) P-C4' energy: -116.706 flat angles C4'-P-C4' energy: -102.540 flat angles P-C4'-P energy: -53.384 tors. eta vs tors. theta energy: -25.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -793.835028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.835028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.835028 (E_RNA) where: Base-Base interactions energy: -460.157 where: short stacking energy: -222.758 Base-Backbone interact. energy: 4.074 local terms energy: -337.752732 where: bonds (distance) C4'-P energy: -92.393 bonds (distance) P-C4' energy: -83.824 flat angles C4'-P-C4' energy: -84.642 flat angles P-C4'-P energy: -60.789 tors. eta vs tors. theta energy: -16.105 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: 146 Temperature: 0.900000 Total energy: -2281.801641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.801641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.801641 (E_RNA) where: Base-Base interactions energy: -1604.458 where: short stacking energy: -659.169 Base-Backbone interact. energy: -2.766 local terms energy: -674.577891 where: bonds (distance) C4'-P energy: -101.591 bonds (distance) P-C4' energy: -128.167 flat angles C4'-P-C4' energy: -138.401 flat angles P-C4'-P energy: -106.538 tors. eta vs tors. theta energy: -199.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2148.155088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.155088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.155088 (E_RNA) where: Base-Base interactions energy: -1499.692 where: short stacking energy: -590.601 Base-Backbone interact. energy: -2.997 local terms energy: -645.465878 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -127.518 flat angles C4'-P-C4' energy: -141.740 flat angles P-C4'-P energy: -92.072 tors. eta vs tors. theta energy: -174.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2064.418858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.418858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.418858 (E_RNA) where: Base-Base interactions energy: -1433.343 where: short stacking energy: -589.549 Base-Backbone interact. energy: 1.725 local terms energy: -632.800529 where: bonds (distance) C4'-P energy: -103.121 bonds (distance) P-C4' energy: -128.467 flat angles C4'-P-C4' energy: -140.167 flat angles P-C4'-P energy: -90.146 tors. eta vs tors. theta energy: -170.900 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: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1963.538321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.538321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.538321 (E_RNA) where: Base-Base interactions energy: -1373.825 where: short stacking energy: -554.774 Base-Backbone interact. energy: -2.672 local terms energy: -587.042033 where: bonds (distance) C4'-P energy: -114.443 bonds (distance) P-C4' energy: -103.841 flat angles C4'-P-C4' energy: -127.985 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -153.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1778.847306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.847306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.847306 (E_RNA) where: Base-Base interactions energy: -1223.290 where: short stacking energy: -523.225 Base-Backbone interact. energy: -1.250 local terms energy: -554.307494 where: bonds (distance) C4'-P energy: -107.029 bonds (distance) P-C4' energy: -116.038 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -74.979 tors. eta vs tors. theta energy: -139.450 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: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1640.613018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.613018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.613018 (E_RNA) where: Base-Base interactions energy: -1083.855 where: short stacking energy: -469.260 Base-Backbone interact. energy: -2.098 local terms energy: -554.659897 where: bonds (distance) C4'-P energy: -102.256 bonds (distance) P-C4' energy: -111.232 flat angles C4'-P-C4' energy: -126.315 flat angles P-C4'-P energy: -85.593 tors. eta vs tors. theta energy: -129.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1400.811589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.811589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.811589 (E_RNA) where: Base-Base interactions energy: -901.552 where: short stacking energy: -391.229 Base-Backbone interact. energy: -1.264 local terms energy: -497.995827 where: bonds (distance) C4'-P energy: -109.332 bonds (distance) P-C4' energy: -98.431 flat angles C4'-P-C4' energy: -115.851 flat angles P-C4'-P energy: -76.248 tors. eta vs tors. theta energy: -98.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1139.392629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.392629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.392629 (E_RNA) where: Base-Base interactions energy: -689.799 where: short stacking energy: -294.618 Base-Backbone interact. energy: -1.223 local terms energy: -448.370315 where: bonds (distance) C4'-P energy: -106.613 bonds (distance) P-C4' energy: -101.849 flat angles C4'-P-C4' energy: -94.598 flat angles P-C4'-P energy: -77.610 tors. eta vs tors. theta energy: -67.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -946.294584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.294584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.294584 (E_RNA) where: Base-Base interactions energy: -548.558 where: short stacking energy: -264.664 Base-Backbone interact. energy: -1.136 local terms energy: -396.600221 where: bonds (distance) C4'-P energy: -97.665 bonds (distance) P-C4' energy: -97.812 flat angles C4'-P-C4' energy: -89.403 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -42.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -759.700255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.700255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.700255 (E_RNA) where: Base-Base interactions energy: -405.109 where: short stacking energy: -194.892 Base-Backbone interact. energy: -0.613 local terms energy: -353.978253 where: bonds (distance) C4'-P energy: -95.433 bonds (distance) P-C4' energy: -99.728 flat angles C4'-P-C4' energy: -106.478 flat angles P-C4'-P energy: -44.831 tors. eta vs tors. theta energy: -7.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2280.175370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.175370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.175370 (E_RNA) where: Base-Base interactions energy: -1582.762 where: short stacking energy: -660.807 Base-Backbone interact. energy: -1.514 local terms energy: -695.899691 where: bonds (distance) C4'-P energy: -116.482 bonds (distance) P-C4' energy: -129.156 flat angles C4'-P-C4' energy: -147.919 flat angles P-C4'-P energy: -106.562 tors. eta vs tors. theta energy: -195.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2150.262202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.262202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.262202 (E_RNA) where: Base-Base interactions energy: -1502.309 where: short stacking energy: -587.605 Base-Backbone interact. energy: -1.535 local terms energy: -646.418513 where: bonds (distance) C4'-P energy: -118.693 bonds (distance) P-C4' energy: -124.841 flat angles C4'-P-C4' energy: -140.183 flat angles P-C4'-P energy: -87.382 tors. eta vs tors. theta energy: -175.320 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: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2038.243445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.243445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.243445 (E_RNA) where: Base-Base interactions energy: -1405.780 where: short stacking energy: -577.693 Base-Backbone interact. energy: 0.382 local terms energy: -632.845267 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -117.180 flat angles C4'-P-C4' energy: -140.887 flat angles P-C4'-P energy: -89.364 tors. eta vs tors. theta energy: -171.451 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: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1927.216531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.216531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.216531 (E_RNA) where: Base-Base interactions energy: -1375.193 where: short stacking energy: -563.328 Base-Backbone interact. energy: -0.596 local terms energy: -551.427727 where: bonds (distance) C4'-P energy: -95.245 bonds (distance) P-C4' energy: -101.967 flat angles C4'-P-C4' energy: -119.093 flat angles P-C4'-P energy: -81.169 tors. eta vs tors. theta energy: -153.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1832.608094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.608094 (E_RNA) where: Base-Base interactions energy: -1271.891 where: short stacking energy: -544.729 Base-Backbone interact. energy: -0.498 local terms energy: -560.219474 where: bonds (distance) C4'-P energy: -101.095 bonds (distance) P-C4' energy: -88.500 flat angles C4'-P-C4' energy: -130.553 flat angles P-C4'-P energy: -73.163 tors. eta vs tors. theta energy: -166.908 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: 147 Temperature: 1.150000 Total energy: -1632.844768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.844768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.844768 (E_RNA) where: Base-Base interactions energy: -1090.113 where: short stacking energy: -469.050 Base-Backbone interact. energy: 0.256 local terms energy: -542.988425 where: bonds (distance) C4'-P energy: -115.190 bonds (distance) P-C4' energy: -104.437 flat angles C4'-P-C4' energy: -121.634 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -116.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1393.091771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.091771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.091771 (E_RNA) where: Base-Base interactions energy: -918.543 where: short stacking energy: -426.193 Base-Backbone interact. energy: 0.498 local terms energy: -475.046959 where: bonds (distance) C4'-P energy: -94.664 bonds (distance) P-C4' energy: -104.942 flat angles C4'-P-C4' energy: -115.102 flat angles P-C4'-P energy: -64.740 tors. eta vs tors. theta energy: -95.599 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: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1119.008947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.008947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.008947 (E_RNA) where: Base-Base interactions energy: -661.988 where: short stacking energy: -306.779 Base-Backbone interact. energy: 8.564 local terms energy: -465.584551 where: bonds (distance) C4'-P energy: -113.289 bonds (distance) P-C4' energy: -107.953 flat angles C4'-P-C4' energy: -110.819 flat angles P-C4'-P energy: -68.458 tors. eta vs tors. theta energy: -65.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -953.838699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.838699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.838699 (E_RNA) where: Base-Base interactions energy: -567.770 where: short stacking energy: -281.842 Base-Backbone interact. energy: 0.363 local terms energy: -386.431593 where: bonds (distance) C4'-P energy: -106.152 bonds (distance) P-C4' energy: -90.673 flat angles C4'-P-C4' energy: -97.047 flat angles P-C4'-P energy: -49.438 tors. eta vs tors. theta energy: -43.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -732.908172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.908172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.908172 (E_RNA) where: Base-Base interactions energy: -381.928 where: short stacking energy: -190.756 Base-Backbone interact. energy: -2.451 local terms energy: -348.529558 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -100.192 flat angles C4'-P-C4' energy: -87.050 flat angles P-C4'-P energy: -67.319 tors. eta vs tors. theta energy: 1.101 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: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -2306.851881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.851881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.851881 (E_RNA) where: Base-Base interactions energy: -1602.371 where: short stacking energy: -650.080 Base-Backbone interact. energy: -1.189 local terms energy: -703.292126 where: bonds (distance) C4'-P energy: -128.688 bonds (distance) P-C4' energy: -125.310 flat angles C4'-P-C4' energy: -145.071 flat angles P-C4'-P energy: -105.629 tors. eta vs tors. theta energy: -198.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2162.440115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.440115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.440115 (E_RNA) where: Base-Base interactions energy: -1538.859 where: short stacking energy: -621.637 Base-Backbone interact. energy: -2.840 local terms energy: -620.741116 where: bonds (distance) C4'-P energy: -112.157 bonds (distance) P-C4' energy: -122.055 flat angles C4'-P-C4' energy: -125.202 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -180.986 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: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2019.495255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.495255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.495255 (E_RNA) where: Base-Base interactions energy: -1427.958 where: short stacking energy: -591.586 Base-Backbone interact. energy: 9.309 local terms energy: -600.846395 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -116.209 flat angles C4'-P-C4' energy: -120.368 flat angles P-C4'-P energy: -91.248 tors. eta vs tors. theta energy: -157.261 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: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1995.227128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.227128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.227128 (E_RNA) where: Base-Base interactions energy: -1372.868 where: short stacking energy: -548.576 Base-Backbone interact. energy: -1.843 local terms energy: -620.515698 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -120.054 flat angles C4'-P-C4' energy: -147.260 flat angles P-C4'-P energy: -95.036 tors. eta vs tors. theta energy: -163.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1832.012965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.012965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.012965 (E_RNA) where: Base-Base interactions energy: -1256.814 where: short stacking energy: -542.619 Base-Backbone interact. energy: -1.879 local terms energy: -573.319772 where: bonds (distance) C4'-P energy: -106.267 bonds (distance) P-C4' energy: -106.733 flat angles C4'-P-C4' energy: -119.877 flat angles P-C4'-P energy: -79.879 tors. eta vs tors. theta energy: -160.563 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1692.590606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.590606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.590606 (E_RNA) where: Base-Base interactions energy: -1108.422 where: short stacking energy: -466.267 Base-Backbone interact. energy: 2.817 local terms energy: -586.985597 where: bonds (distance) C4'-P energy: -118.366 bonds (distance) P-C4' energy: -109.972 flat angles C4'-P-C4' energy: -130.933 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -133.867 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: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1393.123568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.123568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.123568 (E_RNA) where: Base-Base interactions energy: -911.159 where: short stacking energy: -384.717 Base-Backbone interact. energy: -2.162 local terms energy: -479.802601 where: bonds (distance) C4'-P energy: -97.939 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -108.876 flat angles P-C4'-P energy: -66.872 tors. eta vs tors. theta energy: -93.880 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: 4 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1078.855391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.855391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.855391 (E_RNA) where: Base-Base interactions energy: -647.648 where: short stacking energy: -306.951 Base-Backbone interact. energy: 1.295 local terms energy: -432.502424 where: bonds (distance) C4'-P energy: -89.150 bonds (distance) P-C4' energy: -100.804 flat angles C4'-P-C4' energy: -94.253 flat angles P-C4'-P energy: -76.079 tors. eta vs tors. theta energy: -72.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -930.605773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.605773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.605773 (E_RNA) where: Base-Base interactions energy: -538.678 where: short stacking energy: -259.448 Base-Backbone interact. energy: -1.078 local terms energy: -390.850102 where: bonds (distance) C4'-P energy: -96.951 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -91.320 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -38.607 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: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -687.732791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.732791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.732791 (E_RNA) where: Base-Base interactions energy: -351.731 where: short stacking energy: -167.548 Base-Backbone interact. energy: -1.957 local terms energy: -334.044782 where: bonds (distance) C4'-P energy: -93.966 bonds (distance) P-C4' energy: -99.193 flat angles C4'-P-C4' energy: -82.737 flat angles P-C4'-P energy: -52.480 tors. eta vs tors. theta energy: -5.669 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: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2296.482805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.482805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.482805 (E_RNA) where: Base-Base interactions energy: -1612.144 where: short stacking energy: -651.628 Base-Backbone interact. energy: -1.684 local terms energy: -682.654132 where: bonds (distance) C4'-P energy: -123.443 bonds (distance) P-C4' energy: -116.222 flat angles C4'-P-C4' energy: -145.315 flat angles P-C4'-P energy: -105.559 tors. eta vs tors. theta energy: -192.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2156.785493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.785493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.785493 (E_RNA) where: Base-Base interactions energy: -1519.710 where: short stacking energy: -592.670 Base-Backbone interact. energy: -1.805 local terms energy: -635.270668 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -116.378 flat angles C4'-P-C4' energy: -138.298 flat angles P-C4'-P energy: -84.008 tors. eta vs tors. theta energy: -175.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2018.407372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.407372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.407372 (E_RNA) where: Base-Base interactions energy: -1414.532 where: short stacking energy: -562.897 Base-Backbone interact. energy: 3.480 local terms energy: -607.354892 where: bonds (distance) C4'-P energy: -111.464 bonds (distance) P-C4' energy: -118.678 flat angles C4'-P-C4' energy: -137.139 flat angles P-C4'-P energy: -86.435 tors. eta vs tors. theta energy: -153.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1973.082244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.082244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.082244 (E_RNA) where: Base-Base interactions energy: -1373.128 where: short stacking energy: -557.817 Base-Backbone interact. energy: 3.957 local terms energy: -603.911618 where: bonds (distance) C4'-P energy: -106.276 bonds (distance) P-C4' energy: -130.124 flat angles C4'-P-C4' energy: -113.276 flat angles P-C4'-P energy: -94.739 tors. eta vs tors. theta energy: -159.496 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: 5, replica: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1833.749337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.749337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.749337 (E_RNA) where: Base-Base interactions energy: -1251.933 where: short stacking energy: -553.568 Base-Backbone interact. energy: 1.302 local terms energy: -583.118936 where: bonds (distance) C4'-P energy: -107.400 bonds (distance) P-C4' energy: -105.248 flat angles C4'-P-C4' energy: -134.634 flat angles P-C4'-P energy: -85.752 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: 149 Temperature: 1.150000 Total energy: -1647.685621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.685621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.685621 (E_RNA) where: Base-Base interactions energy: -1077.777 where: short stacking energy: -481.199 Base-Backbone interact. energy: -2.242 local terms energy: -567.666807 where: bonds (distance) C4'-P energy: -113.926 bonds (distance) P-C4' energy: -104.623 flat angles C4'-P-C4' energy: -118.977 flat angles P-C4'-P energy: -91.169 tors. eta vs tors. theta energy: -138.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1428.805362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.805362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.805362 (E_RNA) where: Base-Base interactions energy: -944.163 where: short stacking energy: -449.081 Base-Backbone interact. energy: 1.435 local terms energy: -486.077816 where: bonds (distance) C4'-P energy: -98.917 bonds (distance) P-C4' energy: -98.358 flat angles C4'-P-C4' energy: -112.957 flat angles P-C4'-P energy: -61.641 tors. eta vs tors. theta energy: -114.206 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: 4 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1133.414716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.414716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.414716 (E_RNA) where: Base-Base interactions energy: -678.033 where: short stacking energy: -313.633 Base-Backbone interact. energy: -0.351 local terms energy: -455.031278 where: bonds (distance) C4'-P energy: -103.891 bonds (distance) P-C4' energy: -104.663 flat angles C4'-P-C4' energy: -102.894 flat angles P-C4'-P energy: -78.321 tors. eta vs tors. theta energy: -65.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -923.257990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.257990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.257990 (E_RNA) where: Base-Base interactions energy: -539.588 where: short stacking energy: -296.246 Base-Backbone interact. energy: 1.065 local terms energy: -384.735263 where: bonds (distance) C4'-P energy: -92.399 bonds (distance) P-C4' energy: -98.114 flat angles C4'-P-C4' energy: -83.775 flat angles P-C4'-P energy: -54.386 tors. eta vs tors. theta energy: -56.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -702.645110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.645110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.645110 (E_RNA) where: Base-Base interactions energy: -364.976 where: short stacking energy: -194.000 Base-Backbone interact. energy: 2.472 local terms energy: -340.141704 where: bonds (distance) C4'-P energy: -67.393 bonds (distance) P-C4' energy: -116.020 flat angles C4'-P-C4' energy: -99.000 flat angles P-C4'-P energy: -49.430 tors. eta vs tors. theta energy: -8.298 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: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2311.793242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.793242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.793242 (E_RNA) where: Base-Base interactions energy: -1594.029 where: short stacking energy: -655.399 Base-Backbone interact. energy: -0.051 local terms energy: -717.712877 where: bonds (distance) C4'-P energy: -126.557 bonds (distance) P-C4' energy: -131.719 flat angles C4'-P-C4' energy: -151.025 flat angles P-C4'-P energy: -102.608 tors. eta vs tors. theta energy: -205.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2140.759764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.759764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.759764 (E_RNA) where: Base-Base interactions energy: -1507.679 where: short stacking energy: -576.776 Base-Backbone interact. energy: 1.369 local terms energy: -634.449549 where: bonds (distance) C4'-P energy: -109.962 bonds (distance) P-C4' energy: -129.026 flat angles C4'-P-C4' energy: -139.879 flat angles P-C4'-P energy: -83.205 tors. eta vs tors. theta energy: -172.377 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: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2044.076984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.076984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.076984 (E_RNA) where: Base-Base interactions energy: -1428.389 where: short stacking energy: -581.772 Base-Backbone interact. energy: -0.030 local terms energy: -615.658416 where: bonds (distance) C4'-P energy: -118.934 bonds (distance) P-C4' energy: -117.288 flat angles C4'-P-C4' energy: -131.228 flat angles P-C4'-P energy: -85.040 tors. eta vs tors. theta energy: -163.168 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: 150 Temperature: 1.050000 Total energy: -1965.352742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.352742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.352742 (E_RNA) where: Base-Base interactions energy: -1364.092 where: short stacking energy: -544.004 Base-Backbone interact. energy: 1.370 local terms energy: -602.630025 where: bonds (distance) C4'-P energy: -111.787 bonds (distance) P-C4' energy: -126.512 flat angles C4'-P-C4' energy: -123.267 flat angles P-C4'-P energy: -85.623 tors. eta vs tors. theta energy: -155.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1885.316841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.316841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.316841 (E_RNA) where: Base-Base interactions energy: -1273.633 where: short stacking energy: -546.400 Base-Backbone interact. energy: -1.730 local terms energy: -609.953552 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -129.173 flat angles C4'-P-C4' energy: -113.694 flat angles P-C4'-P energy: -89.006 tors. eta vs tors. theta energy: -176.344 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: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1662.689065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.689065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.689065 (E_RNA) where: Base-Base interactions energy: -1099.386 where: short stacking energy: -491.711 Base-Backbone interact. energy: 3.194 local terms energy: -566.497181 where: bonds (distance) C4'-P energy: -112.627 bonds (distance) P-C4' energy: -112.025 flat angles C4'-P-C4' energy: -115.736 flat angles P-C4'-P energy: -87.068 tors. eta vs tors. theta energy: -139.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1428.818307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.818307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.818307 (E_RNA) where: Base-Base interactions energy: -947.437 where: short stacking energy: -421.726 Base-Backbone interact. energy: 4.859 local terms energy: -486.241031 where: bonds (distance) C4'-P energy: -116.787 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -93.893 flat angles P-C4'-P energy: -82.671 tors. eta vs tors. theta energy: -101.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1157.577454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.577454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.577454 (E_RNA) where: Base-Base interactions energy: -713.152 where: short stacking energy: -322.623 Base-Backbone interact. energy: 0.625 local terms energy: -445.050698 where: bonds (distance) C4'-P energy: -102.035 bonds (distance) P-C4' energy: -105.811 flat angles C4'-P-C4' energy: -96.114 flat angles P-C4'-P energy: -76.788 tors. eta vs tors. theta energy: -64.302 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: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -931.321923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.321923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.321923 (E_RNA) where: Base-Base interactions energy: -538.884 where: short stacking energy: -259.584 Base-Backbone interact. energy: -1.854 local terms energy: -390.583921 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -109.578 flat angles C4'-P-C4' energy: -94.813 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -34.168 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: 1 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -691.699384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.699384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.699384 (E_RNA) where: Base-Base interactions energy: -334.432 where: short stacking energy: -182.028 Base-Backbone interact. energy: 1.187 local terms energy: -358.453552 where: bonds (distance) C4'-P energy: -104.186 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -101.128 flat angles P-C4'-P energy: -52.066 tors. eta vs tors. theta energy: -10.051 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: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2279.065612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.065612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.065612 (E_RNA) where: Base-Base interactions energy: -1614.415 where: short stacking energy: -639.619 Base-Backbone interact. energy: -0.687 local terms energy: -663.963894 where: bonds (distance) C4'-P energy: -121.801 bonds (distance) P-C4' energy: -117.798 flat angles C4'-P-C4' energy: -131.753 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -199.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2160.547697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.547697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.547697 (E_RNA) where: Base-Base interactions energy: -1529.161 where: short stacking energy: -607.849 Base-Backbone interact. energy: -4.636 local terms energy: -626.750754 where: bonds (distance) C4'-P energy: -102.028 bonds (distance) P-C4' energy: -109.052 flat angles C4'-P-C4' energy: -126.376 flat angles P-C4'-P energy: -108.251 tors. eta vs tors. theta energy: -181.044 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: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2022.907295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.907295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.907295 (E_RNA) where: Base-Base interactions energy: -1384.717 where: short stacking energy: -564.596 Base-Backbone interact. energy: -2.784 local terms energy: -635.406105 where: bonds (distance) C4'-P energy: -119.395 bonds (distance) P-C4' energy: -121.253 flat angles C4'-P-C4' energy: -132.148 flat angles P-C4'-P energy: -98.560 tors. eta vs tors. theta energy: -164.051 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1967.779312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.779312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.779312 (E_RNA) where: Base-Base interactions energy: -1355.791 where: short stacking energy: -532.410 Base-Backbone interact. energy: 0.964 local terms energy: -612.951960 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -114.604 flat angles C4'-P-C4' energy: -123.347 flat angles P-C4'-P energy: -100.015 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: 5, replica: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1860.056867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.056867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.056867 (E_RNA) where: Base-Base interactions energy: -1278.110 where: short stacking energy: -553.976 Base-Backbone interact. energy: 0.989 local terms energy: -582.936560 where: bonds (distance) C4'-P energy: -107.841 bonds (distance) P-C4' energy: -106.344 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -87.742 tors. eta vs tors. theta energy: -166.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1621.849217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.849217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.849217 (E_RNA) where: Base-Base interactions energy: -1066.700 where: short stacking energy: -459.070 Base-Backbone interact. energy: -0.869 local terms energy: -554.279976 where: bonds (distance) C4'-P energy: -107.450 bonds (distance) P-C4' energy: -113.441 flat angles C4'-P-C4' energy: -127.635 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: -132.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1464.211173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.211173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.211173 (E_RNA) where: Base-Base interactions energy: -961.816 where: short stacking energy: -416.385 Base-Backbone interact. energy: 1.283 local terms energy: -503.678459 where: bonds (distance) C4'-P energy: -103.889 bonds (distance) P-C4' energy: -113.195 flat angles C4'-P-C4' energy: -98.509 flat angles P-C4'-P energy: -74.374 tors. eta vs tors. theta energy: -113.712 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: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1119.921403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.921403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.921403 (E_RNA) where: Base-Base interactions energy: -676.161 where: short stacking energy: -304.075 Base-Backbone interact. energy: -1.148 local terms energy: -442.612564 where: bonds (distance) C4'-P energy: -107.959 bonds (distance) P-C4' energy: -95.062 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -64.340 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -935.924525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.924525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.924525 (E_RNA) where: Base-Base interactions energy: -518.659 where: short stacking energy: -237.719 Base-Backbone interact. energy: 0.672 local terms energy: -417.937452 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -117.284 flat angles C4'-P-C4' energy: -111.966 flat angles P-C4'-P energy: -64.298 tors. eta vs tors. theta energy: -40.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -711.693776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.693776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.693776 (E_RNA) where: Base-Base interactions energy: -342.546 where: short stacking energy: -193.867 Base-Backbone interact. energy: -2.782 local terms energy: -366.365301 where: bonds (distance) C4'-P energy: -113.110 bonds (distance) P-C4' energy: -117.511 flat angles C4'-P-C4' energy: -82.303 flat angles P-C4'-P energy: -60.892 tors. eta vs tors. theta energy: 7.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2283.337926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.337926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.337926 (E_RNA) where: Base-Base interactions energy: -1583.221 where: short stacking energy: -661.961 Base-Backbone interact. energy: 6.341 local terms energy: -706.457679 where: bonds (distance) C4'-P energy: -124.842 bonds (distance) P-C4' energy: -136.668 flat angles C4'-P-C4' energy: -140.356 flat angles P-C4'-P energy: -106.593 tors. eta vs tors. theta energy: -197.999 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: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2164.995335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.995335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.995335 (E_RNA) where: Base-Base interactions energy: -1504.399 where: short stacking energy: -612.078 Base-Backbone interact. energy: -5.293 local terms energy: -655.303120 where: bonds (distance) C4'-P energy: -120.350 bonds (distance) P-C4' energy: -122.798 flat angles C4'-P-C4' energy: -129.734 flat angles P-C4'-P energy: -100.223 tors. eta vs tors. theta energy: -182.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2020.015760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.015760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.015760 (E_RNA) where: Base-Base interactions energy: -1384.857 where: short stacking energy: -573.689 Base-Backbone interact. energy: 0.466 local terms energy: -635.625395 where: bonds (distance) C4'-P energy: -120.553 bonds (distance) P-C4' energy: -118.621 flat angles C4'-P-C4' energy: -133.565 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -174.883 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: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1973.402110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.402110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.402110 (E_RNA) where: Base-Base interactions energy: -1380.995 where: short stacking energy: -561.772 Base-Backbone interact. energy: -3.929 local terms energy: -588.478450 where: bonds (distance) C4'-P energy: -102.937 bonds (distance) P-C4' energy: -120.931 flat angles C4'-P-C4' energy: -136.965 flat angles P-C4'-P energy: -73.883 tors. eta vs tors. theta energy: -153.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1893.934078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.934078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.934078 (E_RNA) where: Base-Base interactions energy: -1306.750 where: short stacking energy: -540.551 Base-Backbone interact. energy: -1.492 local terms energy: -585.691563 where: bonds (distance) C4'-P energy: -102.351 bonds (distance) P-C4' energy: -106.399 flat angles C4'-P-C4' energy: -131.536 flat angles P-C4'-P energy: -84.801 tors. eta vs tors. theta energy: -160.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1589.458867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.458867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.458867 (E_RNA) where: Base-Base interactions energy: -1091.545 where: short stacking energy: -455.347 Base-Backbone interact. energy: 0.668 local terms energy: -498.582446 where: bonds (distance) C4'-P energy: -97.142 bonds (distance) P-C4' energy: -119.835 flat angles C4'-P-C4' energy: -112.949 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -105.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1513.236349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.236349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.236349 (E_RNA) where: Base-Base interactions energy: -1013.283 where: short stacking energy: -422.307 Base-Backbone interact. energy: -0.150 local terms energy: -499.803510 where: bonds (distance) C4'-P energy: -97.205 bonds (distance) P-C4' energy: -95.624 flat angles C4'-P-C4' energy: -126.289 flat angles P-C4'-P energy: -70.001 tors. eta vs tors. theta energy: -110.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1144.995720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.995720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.995720 (E_RNA) where: Base-Base interactions energy: -687.978 where: short stacking energy: -323.639 Base-Backbone interact. energy: 3.422 local terms energy: -460.439662 where: bonds (distance) C4'-P energy: -96.152 bonds (distance) P-C4' energy: -107.699 flat angles C4'-P-C4' energy: -112.568 flat angles P-C4'-P energy: -68.611 tors. eta vs tors. theta energy: -75.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -960.629104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.629104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.629104 (E_RNA) where: Base-Base interactions energy: -536.665 where: short stacking energy: -263.135 Base-Backbone interact. energy: -1.796 local terms energy: -422.168614 where: bonds (distance) C4'-P energy: -101.507 bonds (distance) P-C4' energy: -120.591 flat angles C4'-P-C4' energy: -109.397 flat angles P-C4'-P energy: -60.570 tors. eta vs tors. theta energy: -30.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -754.529871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.529871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.529871 (E_RNA) where: Base-Base interactions energy: -392.511 where: short stacking energy: -222.616 Base-Backbone interact. energy: 1.348 local terms energy: -363.367083 where: bonds (distance) C4'-P energy: -91.646 bonds (distance) P-C4' energy: -99.299 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -59.810 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2295.008468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.008468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.008468 (E_RNA) where: Base-Base interactions energy: -1602.123 where: short stacking energy: -664.585 Base-Backbone interact. energy: 1.574 local terms energy: -694.459157 where: bonds (distance) C4'-P energy: -118.443 bonds (distance) P-C4' energy: -131.237 flat angles C4'-P-C4' energy: -147.393 flat angles P-C4'-P energy: -100.571 tors. eta vs tors. theta energy: -196.815 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: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2146.448618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.448618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.448618 (E_RNA) where: Base-Base interactions energy: -1509.882 where: short stacking energy: -630.419 Base-Backbone interact. energy: -6.054 local terms energy: -630.511930 where: bonds (distance) C4'-P energy: -104.185 bonds (distance) P-C4' energy: -109.547 flat angles C4'-P-C4' energy: -135.571 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -182.186 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: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2079.114988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.114988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.114988 (E_RNA) where: Base-Base interactions energy: -1441.485 where: short stacking energy: -582.429 Base-Backbone interact. energy: 1.558 local terms energy: -639.188516 where: bonds (distance) C4'-P energy: -124.449 bonds (distance) P-C4' energy: -118.673 flat angles C4'-P-C4' energy: -132.240 flat angles P-C4'-P energy: -87.405 tors. eta vs tors. theta energy: -176.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1976.199951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.199951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.199951 (E_RNA) where: Base-Base interactions energy: -1379.671 where: short stacking energy: -560.065 Base-Backbone interact. energy: -2.617 local terms energy: -593.912577 where: bonds (distance) C4'-P energy: -104.621 bonds (distance) P-C4' energy: -108.844 flat angles C4'-P-C4' energy: -134.558 flat angles P-C4'-P energy: -94.131 tors. eta vs tors. theta energy: -151.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1859.685785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.685785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.685785 (E_RNA) where: Base-Base interactions energy: -1267.614 where: short stacking energy: -546.261 Base-Backbone interact. energy: -1.152 local terms energy: -590.919551 where: bonds (distance) C4'-P energy: -95.704 bonds (distance) P-C4' energy: -120.404 flat angles C4'-P-C4' energy: -118.464 flat angles P-C4'-P energy: -92.925 tors. eta vs tors. theta energy: -163.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1649.604806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.604806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.604806 (E_RNA) where: Base-Base interactions energy: -1123.742 where: short stacking energy: -471.531 Base-Backbone interact. energy: -0.055 local terms energy: -525.807613 where: bonds (distance) C4'-P energy: -94.467 bonds (distance) P-C4' energy: -104.307 flat angles C4'-P-C4' energy: -122.787 flat angles P-C4'-P energy: -76.588 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: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1560.963001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.963001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.963001 (E_RNA) where: Base-Base interactions energy: -1025.864 where: short stacking energy: -456.556 Base-Backbone interact. energy: -0.886 local terms energy: -534.212705 where: bonds (distance) C4'-P energy: -103.244 bonds (distance) P-C4' energy: -121.674 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -78.698 tors. eta vs tors. theta energy: -116.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1127.391898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.391898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.391898 (E_RNA) where: Base-Base interactions energy: -682.375 where: short stacking energy: -313.345 Base-Backbone interact. energy: -0.109 local terms energy: -444.907901 where: bonds (distance) C4'-P energy: -97.266 bonds (distance) P-C4' energy: -117.878 flat angles C4'-P-C4' energy: -91.126 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -73.982 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: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -940.947780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.947780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.947780 (E_RNA) where: Base-Base interactions energy: -551.204 where: short stacking energy: -257.190 Base-Backbone interact. energy: 2.668 local terms energy: -392.411712 where: bonds (distance) C4'-P energy: -107.008 bonds (distance) P-C4' energy: -110.493 flat angles C4'-P-C4' energy: -97.834 flat angles P-C4'-P energy: -49.221 tors. eta vs tors. theta energy: -27.856 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: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -724.471137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.471137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.471137 (E_RNA) where: Base-Base interactions energy: -404.175 where: short stacking energy: -218.687 Base-Backbone interact. energy: -4.100 local terms energy: -316.196115 where: bonds (distance) C4'-P energy: -92.973 bonds (distance) P-C4' energy: -81.927 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2293.211851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.211851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.211851 (E_RNA) where: Base-Base interactions energy: -1585.525 where: short stacking energy: -651.805 Base-Backbone interact. energy: -0.280 local terms energy: -707.407139 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -139.485 flat angles C4'-P-C4' energy: -134.482 flat angles P-C4'-P energy: -109.116 tors. eta vs tors. theta energy: -204.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2134.852935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.852935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.852935 (E_RNA) where: Base-Base interactions energy: -1467.056 where: short stacking energy: -580.733 Base-Backbone interact. energy: -3.360 local terms energy: -664.437543 where: bonds (distance) C4'-P energy: -119.254 bonds (distance) P-C4' energy: -134.665 flat angles C4'-P-C4' energy: -145.814 flat angles P-C4'-P energy: -90.171 tors. eta vs tors. theta energy: -174.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2074.658084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.658084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.658084 (E_RNA) where: Base-Base interactions energy: -1425.443 where: short stacking energy: -590.234 Base-Backbone interact. energy: -3.640 local terms energy: -645.575253 where: bonds (distance) C4'-P energy: -122.501 bonds (distance) P-C4' energy: -116.059 flat angles C4'-P-C4' energy: -137.291 flat angles P-C4'-P energy: -92.064 tors. eta vs tors. theta energy: -177.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1972.983623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.983623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.983623 (E_RNA) where: Base-Base interactions energy: -1397.828 where: short stacking energy: -583.770 Base-Backbone interact. energy: -0.390 local terms energy: -574.765329 where: bonds (distance) C4'-P energy: -104.986 bonds (distance) P-C4' energy: -104.644 flat angles C4'-P-C4' energy: -129.310 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: -163.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1868.372421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.372421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.372421 (E_RNA) where: Base-Base interactions energy: -1264.227 where: short stacking energy: -541.318 Base-Backbone interact. energy: -1.484 local terms energy: -602.661969 where: bonds (distance) C4'-P energy: -116.361 bonds (distance) P-C4' energy: -119.158 flat angles C4'-P-C4' energy: -129.168 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -171.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1733.331581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.331581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.331581 (E_RNA) where: Base-Base interactions energy: -1174.854 where: short stacking energy: -498.638 Base-Backbone interact. energy: 0.827 local terms energy: -559.304757 where: bonds (distance) C4'-P energy: -112.906 bonds (distance) P-C4' energy: -122.613 flat angles C4'-P-C4' energy: -123.138 flat angles P-C4'-P energy: -63.865 tors. eta vs tors. theta energy: -136.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1527.340099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.340099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.340099 (E_RNA) where: Base-Base interactions energy: -1022.477 where: short stacking energy: -457.998 Base-Backbone interact. energy: 2.016 local terms energy: -506.879466 where: bonds (distance) C4'-P energy: -76.721 bonds (distance) P-C4' energy: -114.025 flat angles C4'-P-C4' energy: -113.300 flat angles P-C4'-P energy: -68.078 tors. eta vs tors. theta energy: -134.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1118.058959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.058959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.058959 (E_RNA) where: Base-Base interactions energy: -663.565 where: short stacking energy: -315.953 Base-Backbone interact. energy: -0.141 local terms energy: -454.353767 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -118.521 flat angles C4'-P-C4' energy: -95.986 flat angles P-C4'-P energy: -64.594 tors. eta vs tors. theta energy: -70.050 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: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -947.525726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.525726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.525726 (E_RNA) where: Base-Base interactions energy: -521.913 where: short stacking energy: -241.196 Base-Backbone interact. energy: 0.404 local terms energy: -426.016707 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -108.628 flat angles C4'-P-C4' energy: -97.720 flat angles P-C4'-P energy: -72.186 tors. eta vs tors. theta energy: -36.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -719.956378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.956378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.956378 (E_RNA) where: Base-Base interactions energy: -364.712 where: short stacking energy: -193.477 Base-Backbone interact. energy: -0.391 local terms energy: -354.852686 where: bonds (distance) C4'-P energy: -65.378 bonds (distance) P-C4' energy: -97.629 flat angles C4'-P-C4' energy: -98.819 flat angles P-C4'-P energy: -67.649 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: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2290.136031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.136031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.136031 (E_RNA) where: Base-Base interactions energy: -1597.336 where: short stacking energy: -649.370 Base-Backbone interact. energy: -1.885 local terms energy: -690.914758 where: bonds (distance) C4'-P energy: -118.533 bonds (distance) P-C4' energy: -128.255 flat angles C4'-P-C4' energy: -138.449 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -201.855 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: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2119.830322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.830322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.830322 (E_RNA) where: Base-Base interactions energy: -1470.693 where: short stacking energy: -614.255 Base-Backbone interact. energy: -3.274 local terms energy: -645.863144 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -127.686 flat angles C4'-P-C4' energy: -137.407 flat angles P-C4'-P energy: -105.022 tors. eta vs tors. theta energy: -179.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2097.094269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.094269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.094269 (E_RNA) where: Base-Base interactions energy: -1436.674 where: short stacking energy: -598.223 Base-Backbone interact. energy: 2.687 local terms energy: -663.107427 where: bonds (distance) C4'-P energy: -123.738 bonds (distance) P-C4' energy: -124.465 flat angles C4'-P-C4' energy: -143.408 flat angles P-C4'-P energy: -93.874 tors. eta vs tors. theta energy: -177.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1944.446970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.446970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.446970 (E_RNA) where: Base-Base interactions energy: -1364.024 where: short stacking energy: -541.281 Base-Backbone interact. energy: -1.326 local terms energy: -579.097010 where: bonds (distance) C4'-P energy: -116.386 bonds (distance) P-C4' energy: -99.774 flat angles C4'-P-C4' energy: -131.548 flat angles P-C4'-P energy: -78.037 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: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1885.945540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.945540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.945540 (E_RNA) where: Base-Base interactions energy: -1296.046 where: short stacking energy: -544.080 Base-Backbone interact. energy: -1.543 local terms energy: -588.357218 where: bonds (distance) C4'-P energy: -97.100 bonds (distance) P-C4' energy: -111.718 flat angles C4'-P-C4' energy: -126.285 flat angles P-C4'-P energy: -81.236 tors. eta vs tors. theta energy: -172.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1748.994650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.994650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.994650 (E_RNA) where: Base-Base interactions energy: -1179.275 where: short stacking energy: -475.449 Base-Backbone interact. energy: 0.304 local terms energy: -570.023778 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -115.805 flat angles C4'-P-C4' energy: -125.415 flat angles P-C4'-P energy: -84.746 tors. eta vs tors. theta energy: -134.774 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: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1491.997001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.997001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.997001 (E_RNA) where: Base-Base interactions energy: -984.718 where: short stacking energy: -428.351 Base-Backbone interact. energy: -1.411 local terms energy: -505.867701 where: bonds (distance) C4'-P energy: -100.136 bonds (distance) P-C4' energy: -121.472 flat angles C4'-P-C4' energy: -119.981 flat angles P-C4'-P energy: -57.433 tors. eta vs tors. theta energy: -106.845 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: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1114.128472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.128472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.128472 (E_RNA) where: Base-Base interactions energy: -660.763 where: short stacking energy: -313.475 Base-Backbone interact. energy: 2.043 local terms energy: -455.408936 where: bonds (distance) C4'-P energy: -87.524 bonds (distance) P-C4' energy: -109.666 flat angles C4'-P-C4' energy: -103.732 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -79.771 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: 7 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -945.493075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.493075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.493075 (E_RNA) where: Base-Base interactions energy: -545.974 where: short stacking energy: -280.577 Base-Backbone interact. energy: -0.198 local terms energy: -399.320851 where: bonds (distance) C4'-P energy: -97.667 bonds (distance) P-C4' energy: -115.150 flat angles C4'-P-C4' energy: -86.527 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -44.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -770.336804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.336804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.336804 (E_RNA) where: Base-Base interactions energy: -401.432 where: short stacking energy: -198.617 Base-Backbone interact. energy: 4.073 local terms energy: -372.977880 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -106.544 flat angles C4'-P-C4' energy: -75.570 flat angles P-C4'-P energy: -64.517 tors. eta vs tors. theta energy: -32.785 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: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2304.247428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.247428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.247428 (E_RNA) where: Base-Base interactions energy: -1609.027 where: short stacking energy: -646.585 Base-Backbone interact. energy: -1.346 local terms energy: -693.874489 where: bonds (distance) C4'-P energy: -122.617 bonds (distance) P-C4' energy: -125.917 flat angles C4'-P-C4' energy: -138.434 flat angles P-C4'-P energy: -105.214 tors. eta vs tors. theta energy: -201.693 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: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2148.001931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.001931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.001931 (E_RNA) where: Base-Base interactions energy: -1505.204 where: short stacking energy: -599.634 Base-Backbone interact. energy: 1.295 local terms energy: -644.092760 where: bonds (distance) C4'-P energy: -121.729 bonds (distance) P-C4' energy: -119.815 flat angles C4'-P-C4' energy: -137.486 flat angles P-C4'-P energy: -86.892 tors. eta vs tors. theta energy: -178.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2059.642056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.642056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.642056 (E_RNA) where: Base-Base interactions energy: -1424.753 where: short stacking energy: -584.506 Base-Backbone interact. energy: -3.324 local terms energy: -631.564877 where: bonds (distance) C4'-P energy: -109.958 bonds (distance) P-C4' energy: -135.115 flat angles C4'-P-C4' energy: -129.955 flat angles P-C4'-P energy: -85.125 tors. eta vs tors. theta energy: -171.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2019.285369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.285369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.285369 (E_RNA) where: Base-Base interactions energy: -1428.983 where: short stacking energy: -565.609 Base-Backbone interact. energy: -0.973 local terms energy: -589.328479 where: bonds (distance) C4'-P energy: -111.328 bonds (distance) P-C4' energy: -102.883 flat angles C4'-P-C4' energy: -125.591 flat angles P-C4'-P energy: -90.419 tors. eta vs tors. theta energy: -159.108 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: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1880.129791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.129791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.129791 (E_RNA) where: Base-Base interactions energy: -1283.193 where: short stacking energy: -532.405 Base-Backbone interact. energy: -2.575 local terms energy: -594.361563 where: bonds (distance) C4'-P energy: -110.381 bonds (distance) P-C4' energy: -112.396 flat angles C4'-P-C4' energy: -123.875 flat angles P-C4'-P energy: -81.736 tors. eta vs tors. theta energy: -165.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1724.198735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.198735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.198735 (E_RNA) where: Base-Base interactions energy: -1153.715 where: short stacking energy: -487.088 Base-Backbone interact. energy: 0.286 local terms energy: -570.769757 where: bonds (distance) C4'-P energy: -113.534 bonds (distance) P-C4' energy: -103.183 flat angles C4'-P-C4' energy: -126.643 flat angles P-C4'-P energy: -86.629 tors. eta vs tors. theta energy: -140.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1451.531880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.531880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.531880 (E_RNA) where: Base-Base interactions energy: -932.337 where: short stacking energy: -408.937 Base-Backbone interact. energy: -2.426 local terms energy: -516.768971 where: bonds (distance) C4'-P energy: -125.405 bonds (distance) P-C4' energy: -102.153 flat angles C4'-P-C4' energy: -115.442 flat angles P-C4'-P energy: -76.777 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: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1183.366261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.366261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.366261 (E_RNA) where: Base-Base interactions energy: -735.323 where: short stacking energy: -326.539 Base-Backbone interact. energy: 0.149 local terms energy: -448.192594 where: bonds (distance) C4'-P energy: -102.697 bonds (distance) P-C4' energy: -119.851 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -53.135 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: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -957.178706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.178706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.178706 (E_RNA) where: Base-Base interactions energy: -551.356 where: short stacking energy: -263.120 Base-Backbone interact. energy: -2.393 local terms energy: -403.429751 where: bonds (distance) C4'-P energy: -102.669 bonds (distance) P-C4' energy: -113.495 flat angles C4'-P-C4' energy: -103.684 flat angles P-C4'-P energy: -59.692 tors. eta vs tors. theta energy: -23.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -800.668607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.668607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.668607 (E_RNA) where: Base-Base interactions energy: -448.030 where: short stacking energy: -229.886 Base-Backbone interact. energy: 4.745 local terms energy: -357.384292 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -101.816 flat angles C4'-P-C4' energy: -93.901 flat angles P-C4'-P energy: -51.749 tors. eta vs tors. theta energy: -15.607 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: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2274.109280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.109280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.109280 (E_RNA) where: Base-Base interactions energy: -1595.745 where: short stacking energy: -647.413 Base-Backbone interact. energy: -1.789 local terms energy: -676.574890 where: bonds (distance) C4'-P energy: -119.359 bonds (distance) P-C4' energy: -124.669 flat angles C4'-P-C4' energy: -145.714 flat angles P-C4'-P energy: -88.826 tors. eta vs tors. theta energy: -198.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2143.080867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.080867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.080867 (E_RNA) where: Base-Base interactions energy: -1519.114 where: short stacking energy: -616.603 Base-Backbone interact. energy: -1.426 local terms energy: -622.540970 where: bonds (distance) C4'-P energy: -101.727 bonds (distance) P-C4' energy: -113.807 flat angles C4'-P-C4' energy: -136.555 flat angles P-C4'-P energy: -92.452 tors. eta vs tors. theta energy: -178.000 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: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2023.712385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.712385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.712385 (E_RNA) where: Base-Base interactions energy: -1393.361 where: short stacking energy: -574.361 Base-Backbone interact. energy: -2.091 local terms energy: -628.259636 where: bonds (distance) C4'-P energy: -124.312 bonds (distance) P-C4' energy: -129.208 flat angles C4'-P-C4' energy: -123.690 flat angles P-C4'-P energy: -84.215 tors. eta vs tors. theta energy: -166.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2031.047832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.047832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.047832 (E_RNA) where: Base-Base interactions energy: -1424.733 where: short stacking energy: -553.739 Base-Backbone interact. energy: -2.428 local terms energy: -603.886356 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -116.577 flat angles C4'-P-C4' energy: -132.284 flat angles P-C4'-P energy: -83.511 tors. eta vs tors. theta energy: -155.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1866.738185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.738185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.738185 (E_RNA) where: Base-Base interactions energy: -1281.180 where: short stacking energy: -528.494 Base-Backbone interact. energy: -3.721 local terms energy: -581.836940 where: bonds (distance) C4'-P energy: -101.079 bonds (distance) P-C4' energy: -102.173 flat angles C4'-P-C4' energy: -126.187 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -165.654 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: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1750.942934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.942934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.942934 (E_RNA) where: Base-Base interactions energy: -1198.224 where: short stacking energy: -512.244 Base-Backbone interact. energy: 0.701 local terms energy: -553.420323 where: bonds (distance) C4'-P energy: -100.638 bonds (distance) P-C4' energy: -108.763 flat angles C4'-P-C4' energy: -115.057 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -152.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1488.116798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.116798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.116798 (E_RNA) where: Base-Base interactions energy: -975.713 where: short stacking energy: -434.042 Base-Backbone interact. energy: 0.714 local terms energy: -513.117721 where: bonds (distance) C4'-P energy: -107.343 bonds (distance) P-C4' energy: -112.311 flat angles C4'-P-C4' energy: -123.920 flat angles P-C4'-P energy: -64.601 tors. eta vs tors. theta energy: -104.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1218.762981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.762981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.762981 (E_RNA) where: Base-Base interactions energy: -776.198 where: short stacking energy: -341.312 Base-Backbone interact. energy: 5.080 local terms energy: -447.645371 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -105.767 flat angles C4'-P-C4' energy: -109.061 flat angles P-C4'-P energy: -71.712 tors. eta vs tors. theta energy: -73.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -957.084063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.084063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.084063 (E_RNA) where: Base-Base interactions energy: -580.008 where: short stacking energy: -297.185 Base-Backbone interact. energy: -0.607 local terms energy: -376.469546 where: bonds (distance) C4'-P energy: -97.309 bonds (distance) P-C4' energy: -105.594 flat angles C4'-P-C4' energy: -73.020 flat angles P-C4'-P energy: -61.565 tors. eta vs tors. theta energy: -38.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -766.752793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.752793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.752793 (E_RNA) where: Base-Base interactions energy: -433.843 where: short stacking energy: -236.521 Base-Backbone interact. energy: 0.212 local terms energy: -333.121656 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -91.596 flat angles C4'-P-C4' energy: -87.992 flat angles P-C4'-P energy: -48.353 tors. eta vs tors. theta energy: -26.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2288.475845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.475845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.475845 (E_RNA) where: Base-Base interactions energy: -1585.840 where: short stacking energy: -643.855 Base-Backbone interact. energy: -1.120 local terms energy: -701.515789 where: bonds (distance) C4'-P energy: -129.090 bonds (distance) P-C4' energy: -133.888 flat angles C4'-P-C4' energy: -151.158 flat angles P-C4'-P energy: -96.426 tors. eta vs tors. theta energy: -190.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2176.560697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.560697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.560697 (E_RNA) where: Base-Base interactions energy: -1527.110 where: short stacking energy: -632.804 Base-Backbone interact. energy: -2.257 local terms energy: -647.192891 where: bonds (distance) C4'-P energy: -120.405 bonds (distance) P-C4' energy: -116.548 flat angles C4'-P-C4' energy: -135.957 flat angles P-C4'-P energy: -93.649 tors. eta vs tors. theta energy: -180.633 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: 3, replica: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2023.150608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.150608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.150608 (E_RNA) where: Base-Base interactions energy: -1402.595 where: short stacking energy: -547.480 Base-Backbone interact. energy: -4.321 local terms energy: -616.234093 where: bonds (distance) C4'-P energy: -112.275 bonds (distance) P-C4' energy: -120.619 flat angles C4'-P-C4' energy: -133.492 flat angles P-C4'-P energy: -102.335 tors. eta vs tors. theta energy: -147.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1982.266797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.266797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.266797 (E_RNA) where: Base-Base interactions energy: -1376.447 where: short stacking energy: -556.238 Base-Backbone interact. energy: 1.988 local terms energy: -607.808150 where: bonds (distance) C4'-P energy: -121.358 bonds (distance) P-C4' energy: -115.962 flat angles C4'-P-C4' energy: -130.632 flat angles P-C4'-P energy: -86.529 tors. eta vs tors. theta energy: -153.328 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: 158 Temperature: 1.100000 Total energy: -1883.235907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.235907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.235907 (E_RNA) where: Base-Base interactions energy: -1287.278 where: short stacking energy: -557.231 Base-Backbone interact. energy: -2.883 local terms energy: -593.074597 where: bonds (distance) C4'-P energy: -99.091 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -120.782 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -171.014 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: 158 Temperature: 1.150000 Total energy: -1718.377007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.377007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.377007 (E_RNA) where: Base-Base interactions energy: -1138.244 where: short stacking energy: -493.601 Base-Backbone interact. energy: -1.505 local terms energy: -578.627866 where: bonds (distance) C4'-P energy: -103.794 bonds (distance) P-C4' energy: -116.024 flat angles C4'-P-C4' energy: -121.097 flat angles P-C4'-P energy: -90.149 tors. eta vs tors. theta energy: -147.564 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: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1505.749461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.749461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.749461 (E_RNA) where: Base-Base interactions energy: -989.888 where: short stacking energy: -425.325 Base-Backbone interact. energy: -0.695 local terms energy: -515.166060 where: bonds (distance) C4'-P energy: -98.798 bonds (distance) P-C4' energy: -112.835 flat angles C4'-P-C4' energy: -118.497 flat angles P-C4'-P energy: -64.555 tors. eta vs tors. theta energy: -120.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1152.720445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.720445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.720445 (E_RNA) where: Base-Base interactions energy: -712.064 where: short stacking energy: -328.415 Base-Backbone interact. energy: -1.365 local terms energy: -439.290688 where: bonds (distance) C4'-P energy: -95.088 bonds (distance) P-C4' energy: -100.894 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -76.362 tors. eta vs tors. theta energy: -65.469 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: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -930.880894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.880894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.880894 (E_RNA) where: Base-Base interactions energy: -544.884 where: short stacking energy: -268.923 Base-Backbone interact. energy: -0.297 local terms energy: -385.699300 where: bonds (distance) C4'-P energy: -92.292 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -99.796 flat angles P-C4'-P energy: -57.352 tors. eta vs tors. theta energy: -33.102 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: 1 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -756.984583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.984583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.984583 (E_RNA) where: Base-Base interactions energy: -378.063 where: short stacking energy: -198.977 Base-Backbone interact. energy: 0.732 local terms energy: -379.653716 where: bonds (distance) C4'-P energy: -104.038 bonds (distance) P-C4' energy: -107.475 flat angles C4'-P-C4' energy: -98.455 flat angles P-C4'-P energy: -44.341 tors. eta vs tors. theta energy: -25.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2292.436430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.436430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.436430 (E_RNA) where: Base-Base interactions energy: -1612.178 where: short stacking energy: -649.346 Base-Backbone interact. energy: -1.702 local terms energy: -678.556422 where: bonds (distance) C4'-P energy: -125.603 bonds (distance) P-C4' energy: -121.152 flat angles C4'-P-C4' energy: -144.469 flat angles P-C4'-P energy: -95.863 tors. eta vs tors. theta energy: -191.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2165.598332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.598332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.598332 (E_RNA) where: Base-Base interactions energy: -1504.393 where: short stacking energy: -610.492 Base-Backbone interact. energy: -2.715 local terms energy: -658.490457 where: bonds (distance) C4'-P energy: -125.993 bonds (distance) P-C4' energy: -121.034 flat angles C4'-P-C4' energy: -135.720 flat angles P-C4'-P energy: -97.412 tors. eta vs tors. theta energy: -178.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2037.795902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.795902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.795902 (E_RNA) where: Base-Base interactions energy: -1439.071 where: short stacking energy: -564.861 Base-Backbone interact. energy: 2.237 local terms energy: -600.962022 where: bonds (distance) C4'-P energy: -120.575 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -123.233 flat angles P-C4'-P energy: -75.272 tors. eta vs tors. theta energy: -161.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1969.687995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.687995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.687995 (E_RNA) where: Base-Base interactions energy: -1368.207 where: short stacking energy: -554.235 Base-Backbone interact. energy: -2.213 local terms energy: -599.268510 where: bonds (distance) C4'-P energy: -105.444 bonds (distance) P-C4' energy: -112.903 flat angles C4'-P-C4' energy: -131.295 flat angles P-C4'-P energy: -82.848 tors. eta vs tors. theta energy: -166.779 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: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1860.537052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.537052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.537052 (E_RNA) where: Base-Base interactions energy: -1292.165 where: short stacking energy: -550.425 Base-Backbone interact. energy: -2.383 local terms energy: -565.988888 where: bonds (distance) C4'-P energy: -84.215 bonds (distance) P-C4' energy: -117.688 flat angles C4'-P-C4' energy: -113.988 flat angles P-C4'-P energy: -81.680 tors. eta vs tors. theta energy: -168.418 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1731.569608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.569608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.569608 (E_RNA) where: Base-Base interactions energy: -1176.766 where: short stacking energy: -488.352 Base-Backbone interact. energy: -1.549 local terms energy: -553.254029 where: bonds (distance) C4'-P energy: -105.366 bonds (distance) P-C4' energy: -100.549 flat angles C4'-P-C4' energy: -126.367 flat angles P-C4'-P energy: -84.504 tors. eta vs tors. theta energy: -136.469 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: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1502.048664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.048664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.048664 (E_RNA) where: Base-Base interactions energy: -984.156 where: short stacking energy: -438.272 Base-Backbone interact. energy: -1.570 local terms energy: -516.322232 where: bonds (distance) C4'-P energy: -121.177 bonds (distance) P-C4' energy: -112.475 flat angles C4'-P-C4' energy: -102.899 flat angles P-C4'-P energy: -60.948 tors. eta vs tors. theta energy: -118.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1213.266369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.266369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.266369 (E_RNA) where: Base-Base interactions energy: -766.299 where: short stacking energy: -353.512 Base-Backbone interact. energy: 1.346 local terms energy: -448.313388 where: bonds (distance) C4'-P energy: -100.047 bonds (distance) P-C4' energy: -110.303 flat angles C4'-P-C4' energy: -109.615 flat angles P-C4'-P energy: -53.404 tors. eta vs tors. theta energy: -74.944 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: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -952.176233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.176233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.176233 (E_RNA) where: Base-Base interactions energy: -581.398 where: short stacking energy: -261.130 Base-Backbone interact. energy: 2.126 local terms energy: -372.903620 where: bonds (distance) C4'-P energy: -99.227 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -96.525 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -34.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -819.268697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.268697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.268697 (E_RNA) where: Base-Base interactions energy: -453.040 where: short stacking energy: -213.526 Base-Backbone interact. energy: 4.210 local terms energy: -370.437846 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -98.892 flat angles C4'-P-C4' energy: -93.361 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: -20.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2290.425716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.425716 (E_RNA) where: Base-Base interactions energy: -1592.934 where: short stacking energy: -657.936 Base-Backbone interact. energy: -0.866 local terms energy: -696.625615 where: bonds (distance) C4'-P energy: -127.067 bonds (distance) P-C4' energy: -129.824 flat angles C4'-P-C4' energy: -140.337 flat angles P-C4'-P energy: -107.503 tors. eta vs tors. theta energy: -191.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2173.530706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.530706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.530706 (E_RNA) where: Base-Base interactions energy: -1533.405 where: short stacking energy: -614.617 Base-Backbone interact. energy: -1.125 local terms energy: -639.001027 where: bonds (distance) C4'-P energy: -112.331 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -133.313 flat angles P-C4'-P energy: -100.071 tors. eta vs tors. theta energy: -180.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2073.974156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.974156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.974156 (E_RNA) where: Base-Base interactions energy: -1436.304 where: short stacking energy: -558.372 Base-Backbone interact. energy: 0.117 local terms energy: -637.787461 where: bonds (distance) C4'-P energy: -120.891 bonds (distance) P-C4' energy: -114.474 flat angles C4'-P-C4' energy: -149.647 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -157.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2016.178558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.178558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.178558 (E_RNA) where: Base-Base interactions energy: -1408.137 where: short stacking energy: -569.089 Base-Backbone interact. energy: -1.095 local terms energy: -606.947220 where: bonds (distance) C4'-P energy: -116.520 bonds (distance) P-C4' energy: -119.071 flat angles C4'-P-C4' energy: -137.988 flat angles P-C4'-P energy: -73.677 tors. eta vs tors. theta energy: -159.692 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: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1873.180602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.180602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.180602 (E_RNA) where: Base-Base interactions energy: -1271.110 where: short stacking energy: -527.893 Base-Backbone interact. energy: -2.189 local terms energy: -599.882374 where: bonds (distance) C4'-P energy: -115.903 bonds (distance) P-C4' energy: -110.342 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -84.722 tors. eta vs tors. theta energy: -162.847 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: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1648.715141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.715141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.715141 (E_RNA) where: Base-Base interactions energy: -1116.439 where: short stacking energy: -471.348 Base-Backbone interact. energy: -0.989 local terms energy: -531.287430 where: bonds (distance) C4'-P energy: -101.534 bonds (distance) P-C4' energy: -121.315 flat angles C4'-P-C4' energy: -107.695 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: -124.903 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: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1448.469926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.469926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.469926 (E_RNA) where: Base-Base interactions energy: -936.560 where: short stacking energy: -409.276 Base-Backbone interact. energy: -0.093 local terms energy: -511.817608 where: bonds (distance) C4'-P energy: -105.980 bonds (distance) P-C4' energy: -115.188 flat angles C4'-P-C4' energy: -114.471 flat angles P-C4'-P energy: -67.519 tors. eta vs tors. theta energy: -108.659 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: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1149.900482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.900482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.900482 (E_RNA) where: Base-Base interactions energy: -695.582 where: short stacking energy: -318.238 Base-Backbone interact. energy: -1.074 local terms energy: -453.244642 where: bonds (distance) C4'-P energy: -113.113 bonds (distance) P-C4' energy: -120.048 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -51.313 tors. eta vs tors. theta energy: -71.612 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: 160 Temperature: 1.300000 Total energy: -904.668887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.668887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.668887 (E_RNA) where: Base-Base interactions energy: -503.352 where: short stacking energy: -259.246 Base-Backbone interact. energy: -5.624 local terms energy: -395.692907 where: bonds (distance) C4'-P energy: -116.079 bonds (distance) P-C4' energy: -103.211 flat angles C4'-P-C4' energy: -88.309 flat angles P-C4'-P energy: -70.025 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -865.616489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.616489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.616489 (E_RNA) where: Base-Base interactions energy: -501.956 where: short stacking energy: -257.218 Base-Backbone interact. energy: 2.060 local terms energy: -365.720696 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -99.049 flat angles C4'-P-C4' energy: -102.370 flat angles P-C4'-P energy: -45.888 tors. eta vs tors. theta energy: -32.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -2289.252680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.252680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.252680 (E_RNA) where: Base-Base interactions energy: -1576.783 where: short stacking energy: -656.334 Base-Backbone interact. energy: -1.798 local terms energy: -710.671918 where: bonds (distance) C4'-P energy: -123.637 bonds (distance) P-C4' energy: -140.082 flat angles C4'-P-C4' energy: -146.633 flat angles P-C4'-P energy: -106.853 tors. eta vs tors. theta energy: -193.466 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2165.391996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.391996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.391996 (E_RNA) where: Base-Base interactions energy: -1519.184 where: short stacking energy: -620.676 Base-Backbone interact. energy: -2.549 local terms energy: -643.658883 where: bonds (distance) C4'-P energy: -122.177 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -129.908 flat angles P-C4'-P energy: -97.130 tors. eta vs tors. theta energy: -178.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2054.290071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.290071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.290071 (E_RNA) where: Base-Base interactions energy: -1432.502 where: short stacking energy: -548.854 Base-Backbone interact. energy: -6.091 local terms energy: -615.696445 where: bonds (distance) C4'-P energy: -115.652 bonds (distance) P-C4' energy: -126.162 flat angles C4'-P-C4' energy: -134.648 flat angles P-C4'-P energy: -82.194 tors. eta vs tors. theta energy: -157.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1981.380980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.380980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.380980 (E_RNA) where: Base-Base interactions energy: -1360.953 where: short stacking energy: -553.302 Base-Backbone interact. energy: -2.308 local terms energy: -618.119730 where: bonds (distance) C4'-P energy: -129.949 bonds (distance) P-C4' energy: -120.378 flat angles C4'-P-C4' energy: -126.310 flat angles P-C4'-P energy: -77.503 tors. eta vs tors. theta energy: -163.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1838.352221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.352221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.352221 (E_RNA) where: Base-Base interactions energy: -1236.831 where: short stacking energy: -527.786 Base-Backbone interact. energy: -3.631 local terms energy: -597.890160 where: bonds (distance) C4'-P energy: -103.695 bonds (distance) P-C4' energy: -130.663 flat angles C4'-P-C4' energy: -116.940 flat angles P-C4'-P energy: -81.774 tors. eta vs tors. theta energy: -164.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1643.824020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.824020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.824020 (E_RNA) where: Base-Base interactions energy: -1114.751 where: short stacking energy: -471.367 Base-Backbone interact. energy: -1.304 local terms energy: -527.769001 where: bonds (distance) C4'-P energy: -101.734 bonds (distance) P-C4' energy: -100.832 flat angles C4'-P-C4' energy: -126.917 flat angles P-C4'-P energy: -68.312 tors. eta vs tors. theta energy: -129.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1467.245456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.245456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.245456 (E_RNA) where: Base-Base interactions energy: -960.261 where: short stacking energy: -419.999 Base-Backbone interact. energy: -0.611 local terms energy: -506.373631 where: bonds (distance) C4'-P energy: -107.880 bonds (distance) P-C4' energy: -95.286 flat angles C4'-P-C4' energy: -120.294 flat angles P-C4'-P energy: -65.908 tors. eta vs tors. theta energy: -117.006 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: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1206.993519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.993519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.993519 (E_RNA) where: Base-Base interactions energy: -795.495 where: short stacking energy: -382.639 Base-Backbone interact. energy: -1.201 local terms energy: -410.297088 where: bonds (distance) C4'-P energy: -81.173 bonds (distance) P-C4' energy: -85.250 flat angles C4'-P-C4' energy: -107.828 flat angles P-C4'-P energy: -61.596 tors. eta vs tors. theta energy: -74.451 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: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -873.972304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.972304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.972304 (E_RNA) where: Base-Base interactions energy: -493.483 where: short stacking energy: -248.195 Base-Backbone interact. energy: 0.150 local terms energy: -380.638801 where: bonds (distance) C4'-P energy: -114.209 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -87.547 flat angles P-C4'-P energy: -49.154 tors. eta vs tors. theta energy: -9.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -909.661930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.661930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.661930 (E_RNA) where: Base-Base interactions energy: -542.492 where: short stacking energy: -243.178 Base-Backbone interact. energy: -0.536 local terms energy: -366.633689 where: bonds (distance) C4'-P energy: -87.157 bonds (distance) P-C4' energy: -95.791 flat angles C4'-P-C4' energy: -93.751 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -27.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -2258.013584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.013584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.013584 (E_RNA) where: Base-Base interactions energy: -1566.107 where: short stacking energy: -650.855 Base-Backbone interact. energy: -3.137 local terms energy: -688.768718 where: bonds (distance) C4'-P energy: -125.344 bonds (distance) P-C4' energy: -124.799 flat angles C4'-P-C4' energy: -135.707 flat angles P-C4'-P energy: -100.938 tors. eta vs tors. theta energy: -201.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2141.056039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.056039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.056039 (E_RNA) where: Base-Base interactions energy: -1510.174 where: short stacking energy: -621.412 Base-Backbone interact. energy: -2.234 local terms energy: -628.648002 where: bonds (distance) C4'-P energy: -114.739 bonds (distance) P-C4' energy: -110.567 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -91.281 tors. eta vs tors. theta energy: -179.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2043.186027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.186027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.186027 (E_RNA) where: Base-Base interactions energy: -1428.139 where: short stacking energy: -577.985 Base-Backbone interact. energy: 5.253 local terms energy: -620.299782 where: bonds (distance) C4'-P energy: -116.112 bonds (distance) P-C4' energy: -120.361 flat angles C4'-P-C4' energy: -126.004 flat angles P-C4'-P energy: -95.585 tors. eta vs tors. theta energy: -162.237 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: 8 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1984.115436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.115436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.115436 (E_RNA) where: Base-Base interactions energy: -1363.318 where: short stacking energy: -560.836 Base-Backbone interact. energy: -1.412 local terms energy: -619.385794 where: bonds (distance) C4'-P energy: -115.335 bonds (distance) P-C4' energy: -120.413 flat angles C4'-P-C4' energy: -123.400 flat angles P-C4'-P energy: -96.912 tors. eta vs tors. theta energy: -163.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1874.693206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.693206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.693206 (E_RNA) where: Base-Base interactions energy: -1267.110 where: short stacking energy: -532.295 Base-Backbone interact. energy: 0.735 local terms energy: -608.317745 where: bonds (distance) C4'-P energy: -113.216 bonds (distance) P-C4' energy: -118.071 flat angles C4'-P-C4' energy: -124.667 flat angles P-C4'-P energy: -90.682 tors. eta vs tors. theta energy: -161.681 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: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1686.605933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.605933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.605933 (E_RNA) where: Base-Base interactions energy: -1131.474 where: short stacking energy: -489.086 Base-Backbone interact. energy: -2.940 local terms energy: -552.192170 where: bonds (distance) C4'-P energy: -107.971 bonds (distance) P-C4' energy: -112.435 flat angles C4'-P-C4' energy: -134.281 flat angles P-C4'-P energy: -67.839 tors. eta vs tors. theta energy: -129.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1524.180281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.180281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.180281 (E_RNA) where: Base-Base interactions energy: -1044.251 where: short stacking energy: -431.838 Base-Backbone interact. energy: 3.387 local terms energy: -483.316145 where: bonds (distance) C4'-P energy: -117.131 bonds (distance) P-C4' energy: -88.385 flat angles C4'-P-C4' energy: -96.656 flat angles P-C4'-P energy: -75.359 tors. eta vs tors. theta energy: -105.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1158.909077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.909077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.909077 (E_RNA) where: Base-Base interactions energy: -734.083 where: short stacking energy: -335.160 Base-Backbone interact. energy: -0.816 local terms energy: -424.009353 where: bonds (distance) C4'-P energy: -94.488 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -102.232 flat angles P-C4'-P energy: -56.041 tors. eta vs tors. theta energy: -73.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -986.208730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.208730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.208730 (E_RNA) where: Base-Base interactions energy: -604.738 where: short stacking energy: -267.062 Base-Backbone interact. energy: 5.943 local terms energy: -387.414521 where: bonds (distance) C4'-P energy: -102.499 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -103.537 flat angles P-C4'-P energy: -59.625 tors. eta vs tors. theta energy: -31.260 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: 162 Temperature: 1.350000 Total energy: -797.339349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.339349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.339349 (E_RNA) where: Base-Base interactions energy: -432.780 where: short stacking energy: -215.016 Base-Backbone interact. energy: 4.997 local terms energy: -369.557070 where: bonds (distance) C4'-P energy: -106.884 bonds (distance) P-C4' energy: -105.301 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -38.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2277.040421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.040421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.040421 (E_RNA) where: Base-Base interactions energy: -1572.983 where: short stacking energy: -657.008 Base-Backbone interact. energy: -1.217 local terms energy: -702.840415 where: bonds (distance) C4'-P energy: -132.939 bonds (distance) P-C4' energy: -120.879 flat angles C4'-P-C4' energy: -146.283 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -200.393 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: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2183.900348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.900348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.900348 (E_RNA) where: Base-Base interactions energy: -1534.235 where: short stacking energy: -617.777 Base-Backbone interact. energy: -3.656 local terms energy: -646.009079 where: bonds (distance) C4'-P energy: -104.049 bonds (distance) P-C4' energy: -116.993 flat angles C4'-P-C4' energy: -143.928 flat angles P-C4'-P energy: -101.015 tors. eta vs tors. theta energy: -180.025 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: 2 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2071.375371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.375371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.375371 (E_RNA) where: Base-Base interactions energy: -1455.054 where: short stacking energy: -563.635 Base-Backbone interact. energy: -2.140 local terms energy: -614.181569 where: bonds (distance) C4'-P energy: -114.274 bonds (distance) P-C4' energy: -120.852 flat angles C4'-P-C4' energy: -123.656 flat angles P-C4'-P energy: -84.207 tors. eta vs tors. theta energy: -171.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1978.915824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.915824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.915824 (E_RNA) where: Base-Base interactions energy: -1377.186 where: short stacking energy: -571.598 Base-Backbone interact. energy: -1.554 local terms energy: -600.176013 where: bonds (distance) C4'-P energy: -112.622 bonds (distance) P-C4' energy: -103.841 flat angles C4'-P-C4' energy: -126.495 flat angles P-C4'-P energy: -84.907 tors. eta vs tors. theta energy: -172.310 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: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1857.749529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.749529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.749529 (E_RNA) where: Base-Base interactions energy: -1256.617 where: short stacking energy: -548.901 Base-Backbone interact. energy: -1.654 local terms energy: -599.477915 where: bonds (distance) C4'-P energy: -109.852 bonds (distance) P-C4' energy: -97.363 flat angles C4'-P-C4' energy: -130.094 flat angles P-C4'-P energy: -85.188 tors. eta vs tors. theta energy: -176.981 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: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1675.510817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.510817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.510817 (E_RNA) where: Base-Base interactions energy: -1122.411 where: short stacking energy: -475.042 Base-Backbone interact. energy: -3.537 local terms energy: -549.562826 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -108.158 flat angles C4'-P-C4' energy: -130.888 flat angles P-C4'-P energy: -77.561 tors. eta vs tors. theta energy: -128.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1540.851262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.851262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.851262 (E_RNA) where: Base-Base interactions energy: -1017.008 where: short stacking energy: -472.019 Base-Backbone interact. energy: 1.421 local terms energy: -525.265000 where: bonds (distance) C4'-P energy: -101.409 bonds (distance) P-C4' energy: -105.422 flat angles C4'-P-C4' energy: -119.393 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -114.026 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: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1219.391386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.391386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.391386 (E_RNA) where: Base-Base interactions energy: -763.710 where: short stacking energy: -361.607 Base-Backbone interact. energy: 5.966 local terms energy: -461.647923 where: bonds (distance) C4'-P energy: -115.212 bonds (distance) P-C4' energy: -95.830 flat angles C4'-P-C4' energy: -111.761 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -72.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -952.092813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.092813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.092813 (E_RNA) where: Base-Base interactions energy: -574.717 where: short stacking energy: -269.130 Base-Backbone interact. energy: 0.306 local terms energy: -377.681763 where: bonds (distance) C4'-P energy: -90.875 bonds (distance) P-C4' energy: -93.837 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -28.060 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: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -841.774449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.774449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.774449 (E_RNA) where: Base-Base interactions energy: -475.931 where: short stacking energy: -243.047 Base-Backbone interact. energy: 1.599 local terms energy: -367.442962 where: bonds (distance) C4'-P energy: -94.219 bonds (distance) P-C4' energy: -103.935 flat angles C4'-P-C4' energy: -90.849 flat angles P-C4'-P energy: -45.660 tors. eta vs tors. theta energy: -32.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2278.063883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.063883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.063883 (E_RNA) where: Base-Base interactions energy: -1591.476 where: short stacking energy: -657.542 Base-Backbone interact. energy: -1.874 local terms energy: -684.714001 where: bonds (distance) C4'-P energy: -122.057 bonds (distance) P-C4' energy: -127.674 flat angles C4'-P-C4' energy: -145.847 flat angles P-C4'-P energy: -97.019 tors. eta vs tors. theta energy: -192.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2138.940683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.940683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.940683 (E_RNA) where: Base-Base interactions energy: -1514.999 where: short stacking energy: -613.534 Base-Backbone interact. energy: -4.627 local terms energy: -619.314288 where: bonds (distance) C4'-P energy: -116.530 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -125.204 flat angles P-C4'-P energy: -84.925 tors. eta vs tors. theta energy: -175.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2116.622888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.622888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.622888 (E_RNA) where: Base-Base interactions energy: -1487.666 where: short stacking energy: -593.567 Base-Backbone interact. energy: -3.921 local terms energy: -625.036215 where: bonds (distance) C4'-P energy: -105.847 bonds (distance) P-C4' energy: -124.960 flat angles C4'-P-C4' energy: -136.893 flat angles P-C4'-P energy: -95.483 tors. eta vs tors. theta energy: -161.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1942.540966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.540966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.540966 (E_RNA) where: Base-Base interactions energy: -1338.310 where: short stacking energy: -549.708 Base-Backbone interact. energy: 0.273 local terms energy: -604.503456 where: bonds (distance) C4'-P energy: -110.151 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -126.794 flat angles P-C4'-P energy: -93.052 tors. eta vs tors. theta energy: -161.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1871.286146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.286146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.286146 (E_RNA) where: Base-Base interactions energy: -1285.217 where: short stacking energy: -559.980 Base-Backbone interact. energy: 0.617 local terms energy: -586.685602 where: bonds (distance) C4'-P energy: -117.347 bonds (distance) P-C4' energy: -106.627 flat angles C4'-P-C4' energy: -126.425 flat angles P-C4'-P energy: -74.599 tors. eta vs tors. theta energy: -161.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1634.855258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.855258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.855258 (E_RNA) where: Base-Base interactions energy: -1074.260 where: short stacking energy: -465.934 Base-Backbone interact. energy: -1.352 local terms energy: -559.243789 where: bonds (distance) C4'-P energy: -86.282 bonds (distance) P-C4' energy: -120.902 flat angles C4'-P-C4' energy: -127.573 flat angles P-C4'-P energy: -87.346 tors. eta vs tors. theta energy: -137.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1545.529888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.529888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.529888 (E_RNA) where: Base-Base interactions energy: -1041.547 where: short stacking energy: -436.777 Base-Backbone interact. energy: 2.894 local terms energy: -506.876632 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -94.123 flat angles C4'-P-C4' energy: -130.422 flat angles P-C4'-P energy: -72.993 tors. eta vs tors. theta energy: -104.221 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: 4 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1217.321207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.321207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.321207 (E_RNA) where: Base-Base interactions energy: -764.946 where: short stacking energy: -347.133 Base-Backbone interact. energy: -3.035 local terms energy: -449.339786 where: bonds (distance) C4'-P energy: -105.998 bonds (distance) P-C4' energy: -100.023 flat angles C4'-P-C4' energy: -102.751 flat angles P-C4'-P energy: -66.271 tors. eta vs tors. theta energy: -74.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -944.054596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.054596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.054596 (E_RNA) where: Base-Base interactions energy: -550.619 where: short stacking energy: -279.582 Base-Backbone interact. energy: -4.303 local terms energy: -389.132595 where: bonds (distance) C4'-P energy: -100.358 bonds (distance) P-C4' energy: -107.430 flat angles C4'-P-C4' energy: -99.492 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -42.913 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: 1 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -966.746885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.746885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.746885 (E_RNA) where: Base-Base interactions energy: -560.141 where: short stacking energy: -264.041 Base-Backbone interact. energy: -4.270 local terms energy: -402.335289 where: bonds (distance) C4'-P energy: -95.338 bonds (distance) P-C4' energy: -105.836 flat angles C4'-P-C4' energy: -91.263 flat angles P-C4'-P energy: -58.746 tors. eta vs tors. theta energy: -51.152 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: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -2276.809521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.809521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.809521 (E_RNA) where: Base-Base interactions energy: -1588.105 where: short stacking energy: -655.567 Base-Backbone interact. energy: -0.988 local terms energy: -687.716933 where: bonds (distance) C4'-P energy: -117.246 bonds (distance) P-C4' energy: -118.706 flat angles C4'-P-C4' energy: -153.618 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -196.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2192.472850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.472850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.472850 (E_RNA) where: Base-Base interactions energy: -1524.550 where: short stacking energy: -616.192 Base-Backbone interact. energy: -4.059 local terms energy: -663.863626 where: bonds (distance) C4'-P energy: -116.318 bonds (distance) P-C4' energy: -125.981 flat angles C4'-P-C4' energy: -148.479 flat angles P-C4'-P energy: -91.865 tors. eta vs tors. theta energy: -181.219 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: 165 Temperature: 1.000000 Total energy: -2119.369903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.369903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.369903 (E_RNA) where: Base-Base interactions energy: -1489.278 where: short stacking energy: -587.432 Base-Backbone interact. energy: -0.714 local terms energy: -629.377235 where: bonds (distance) C4'-P energy: -109.178 bonds (distance) P-C4' energy: -127.739 flat angles C4'-P-C4' energy: -133.313 flat angles P-C4'-P energy: -85.945 tors. eta vs tors. theta energy: -173.203 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: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1955.427199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.427199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.427199 (E_RNA) where: Base-Base interactions energy: -1344.837 where: short stacking energy: -564.030 Base-Backbone interact. energy: -2.312 local terms energy: -608.278597 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -121.147 flat angles C4'-P-C4' energy: -121.076 flat angles P-C4'-P energy: -96.153 tors. eta vs tors. theta energy: -162.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1838.086777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.086777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.086777 (E_RNA) where: Base-Base interactions energy: -1236.938 where: short stacking energy: -523.128 Base-Backbone interact. energy: -0.206 local terms energy: -600.942798 where: bonds (distance) C4'-P energy: -116.784 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -138.215 flat angles P-C4'-P energy: -83.457 tors. eta vs tors. theta energy: -160.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1679.834930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.834930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.834930 (E_RNA) where: Base-Base interactions energy: -1114.021 where: short stacking energy: -480.958 Base-Backbone interact. energy: 3.727 local terms energy: -569.540819 where: bonds (distance) C4'-P energy: -107.727 bonds (distance) P-C4' energy: -121.443 flat angles C4'-P-C4' energy: -125.553 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -142.166 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: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1571.576823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.576823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.576823 (E_RNA) where: Base-Base interactions energy: -1054.834 where: short stacking energy: -449.859 Base-Backbone interact. energy: 2.411 local terms energy: -519.154316 where: bonds (distance) C4'-P energy: -87.981 bonds (distance) P-C4' energy: -122.301 flat angles C4'-P-C4' energy: -116.284 flat angles P-C4'-P energy: -81.575 tors. eta vs tors. theta energy: -111.014 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: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1224.631361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.631361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.631361 (E_RNA) where: Base-Base interactions energy: -784.565 where: short stacking energy: -359.382 Base-Backbone interact. energy: -2.263 local terms energy: -437.802672 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -117.869 flat angles C4'-P-C4' energy: -99.870 flat angles P-C4'-P energy: -58.157 tors. eta vs tors. theta energy: -71.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -942.785076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.785076 (E_RNA) where: Base-Base interactions energy: -571.832 where: short stacking energy: -250.729 Base-Backbone interact. energy: -1.612 local terms energy: -369.340752 where: bonds (distance) C4'-P energy: -99.008 bonds (distance) P-C4' energy: -99.715 flat angles C4'-P-C4' energy: -89.210 flat angles P-C4'-P energy: -62.784 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -922.764256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.764256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.764256 (E_RNA) where: Base-Base interactions energy: -570.847 where: short stacking energy: -268.071 Base-Backbone interact. energy: -1.843 local terms energy: -350.074285 where: bonds (distance) C4'-P energy: -63.210 bonds (distance) P-C4' energy: -106.453 flat angles C4'-P-C4' energy: -95.519 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -2251.774970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.774970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.774970 (E_RNA) where: Base-Base interactions energy: -1576.610 where: short stacking energy: -657.587 Base-Backbone interact. energy: -0.189 local terms energy: -674.975594 where: bonds (distance) C4'-P energy: -123.111 bonds (distance) P-C4' energy: -102.479 flat angles C4'-P-C4' energy: -144.932 flat angles P-C4'-P energy: -110.537 tors. eta vs tors. theta energy: -193.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2196.223530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.223530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.223530 (E_RNA) where: Base-Base interactions energy: -1548.713 where: short stacking energy: -604.258 Base-Backbone interact. energy: -2.227 local terms energy: -645.283886 where: bonds (distance) C4'-P energy: -118.267 bonds (distance) P-C4' energy: -120.948 flat angles C4'-P-C4' energy: -136.415 flat angles P-C4'-P energy: -89.934 tors. eta vs tors. theta energy: -179.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2083.352322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.352322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.352322 (E_RNA) where: Base-Base interactions energy: -1462.591 where: short stacking energy: -580.555 Base-Backbone interact. energy: -1.026 local terms energy: -619.735596 where: bonds (distance) C4'-P energy: -122.236 bonds (distance) P-C4' energy: -114.999 flat angles C4'-P-C4' energy: -132.402 flat angles P-C4'-P energy: -79.059 tors. eta vs tors. theta energy: -171.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1950.534045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.534045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.534045 (E_RNA) where: Base-Base interactions energy: -1329.705 where: short stacking energy: -566.190 Base-Backbone interact. energy: -0.474 local terms energy: -620.354595 where: bonds (distance) C4'-P energy: -126.628 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -136.887 flat angles P-C4'-P energy: -88.526 tors. eta vs tors. theta energy: -153.948 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: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1821.388554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.388554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.388554 (E_RNA) where: Base-Base interactions energy: -1244.075 where: short stacking energy: -517.674 Base-Backbone interact. energy: -0.172 local terms energy: -577.140796 where: bonds (distance) C4'-P energy: -103.727 bonds (distance) P-C4' energy: -100.850 flat angles C4'-P-C4' energy: -128.712 flat angles P-C4'-P energy: -79.644 tors. eta vs tors. theta energy: -164.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1700.277379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.277379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.277379 (E_RNA) where: Base-Base interactions energy: -1119.559 where: short stacking energy: -503.696 Base-Backbone interact. energy: -0.604 local terms energy: -580.114908 where: bonds (distance) C4'-P energy: -115.870 bonds (distance) P-C4' energy: -110.674 flat angles C4'-P-C4' energy: -122.149 flat angles P-C4'-P energy: -84.908 tors. eta vs tors. theta energy: -146.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1563.366424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.366424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.366424 (E_RNA) where: Base-Base interactions energy: -1040.261 where: short stacking energy: -440.268 Base-Backbone interact. energy: 0.059 local terms energy: -523.163968 where: bonds (distance) C4'-P energy: -115.932 bonds (distance) P-C4' energy: -81.860 flat angles C4'-P-C4' energy: -124.946 flat angles P-C4'-P energy: -80.740 tors. eta vs tors. theta energy: -119.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1234.841353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.841353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.841353 (E_RNA) where: Base-Base interactions energy: -797.638 where: short stacking energy: -341.218 Base-Backbone interact. energy: 3.990 local terms energy: -441.193415 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -104.547 flat angles C4'-P-C4' energy: -104.522 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -83.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1003.802871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.802871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.802871 (E_RNA) where: Base-Base interactions energy: -606.878 where: short stacking energy: -308.923 Base-Backbone interact. energy: -0.933 local terms energy: -395.991287 where: bonds (distance) C4'-P energy: -89.340 bonds (distance) P-C4' energy: -99.789 flat angles C4'-P-C4' energy: -96.195 flat angles P-C4'-P energy: -43.723 tors. eta vs tors. theta energy: -66.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -856.625960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.625960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.625960 (E_RNA) where: Base-Base interactions energy: -474.747 where: short stacking energy: -231.576 Base-Backbone interact. energy: -3.558 local terms energy: -378.321387 where: bonds (distance) C4'-P energy: -95.192 bonds (distance) P-C4' energy: -102.327 flat angles C4'-P-C4' energy: -98.637 flat angles P-C4'-P energy: -57.839 tors. eta vs tors. theta energy: -24.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -2272.823585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.823585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.823585 (E_RNA) where: Base-Base interactions energy: -1600.226 where: short stacking energy: -668.154 Base-Backbone interact. energy: -0.164 local terms energy: -672.433780 where: bonds (distance) C4'-P energy: -104.853 bonds (distance) P-C4' energy: -120.758 flat angles C4'-P-C4' energy: -151.347 flat angles P-C4'-P energy: -102.629 tors. eta vs tors. theta energy: -192.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2172.402870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.402870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.402870 (E_RNA) where: Base-Base interactions energy: -1525.546 where: short stacking energy: -599.786 Base-Backbone interact. energy: -1.281 local terms energy: -645.575653 where: bonds (distance) C4'-P energy: -127.878 bonds (distance) P-C4' energy: -114.664 flat angles C4'-P-C4' energy: -136.003 flat angles P-C4'-P energy: -87.289 tors. eta vs tors. theta energy: -179.743 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: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2066.229731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.229731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.229731 (E_RNA) where: Base-Base interactions energy: -1448.663 where: short stacking energy: -555.092 Base-Backbone interact. energy: -3.493 local terms energy: -614.073433 where: bonds (distance) C4'-P energy: -103.133 bonds (distance) P-C4' energy: -120.576 flat angles C4'-P-C4' energy: -135.896 flat angles P-C4'-P energy: -84.789 tors. eta vs tors. theta energy: -169.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1954.585452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.585452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.585452 (E_RNA) where: Base-Base interactions energy: -1381.782 where: short stacking energy: -551.566 Base-Backbone interact. energy: -1.393 local terms energy: -571.410158 where: bonds (distance) C4'-P energy: -117.001 bonds (distance) P-C4' energy: -110.115 flat angles C4'-P-C4' energy: -118.979 flat angles P-C4'-P energy: -70.360 tors. eta vs tors. theta energy: -154.954 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: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1814.905819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.905819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.905819 (E_RNA) where: Base-Base interactions energy: -1222.401 where: short stacking energy: -509.097 Base-Backbone interact. energy: 4.901 local terms energy: -597.405639 where: bonds (distance) C4'-P energy: -104.088 bonds (distance) P-C4' energy: -123.786 flat angles C4'-P-C4' energy: -118.014 flat angles P-C4'-P energy: -89.511 tors. eta vs tors. theta energy: -162.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1721.814990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.814990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.814990 (E_RNA) where: Base-Base interactions energy: -1171.187 where: short stacking energy: -511.436 Base-Backbone interact. energy: -1.992 local terms energy: -548.636774 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -128.452 flat angles P-C4'-P energy: -84.072 tors. eta vs tors. theta energy: -152.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1570.419291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.419291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.419291 (E_RNA) where: Base-Base interactions energy: -1028.124 where: short stacking energy: -472.823 Base-Backbone interact. energy: -2.449 local terms energy: -539.846663 where: bonds (distance) C4'-P energy: -98.714 bonds (distance) P-C4' energy: -122.508 flat angles C4'-P-C4' energy: -122.114 flat angles P-C4'-P energy: -77.828 tors. eta vs tors. theta energy: -118.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1267.707286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.707286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.707286 (E_RNA) where: Base-Base interactions energy: -825.959 where: short stacking energy: -352.788 Base-Backbone interact. energy: -1.781 local terms energy: -439.967480 where: bonds (distance) C4'-P energy: -82.570 bonds (distance) P-C4' energy: -92.362 flat angles C4'-P-C4' energy: -100.585 flat angles P-C4'-P energy: -69.183 tors. eta vs tors. theta energy: -95.267 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: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1007.528572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.528572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.528572 (E_RNA) where: Base-Base interactions energy: -605.549 where: short stacking energy: -275.004 Base-Backbone interact. energy: -3.751 local terms energy: -398.228744 where: bonds (distance) C4'-P energy: -95.926 bonds (distance) P-C4' energy: -103.155 flat angles C4'-P-C4' energy: -80.134 flat angles P-C4'-P energy: -64.213 tors. eta vs tors. theta energy: -54.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -868.407638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.407638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.407638 (E_RNA) where: Base-Base interactions energy: -498.921 where: short stacking energy: -241.674 Base-Backbone interact. energy: -1.584 local terms energy: -367.901837 where: bonds (distance) C4'-P energy: -99.368 bonds (distance) P-C4' energy: -98.836 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -59.977 tors. eta vs tors. theta energy: -8.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2297.834375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.834375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.834375 (E_RNA) where: Base-Base interactions energy: -1599.521 where: short stacking energy: -669.537 Base-Backbone interact. energy: 0.359 local terms energy: -698.671433 where: bonds (distance) C4'-P energy: -117.884 bonds (distance) P-C4' energy: -123.568 flat angles C4'-P-C4' energy: -144.484 flat angles P-C4'-P energy: -103.719 tors. eta vs tors. theta energy: -209.016 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: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2150.941148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.941148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.941148 (E_RNA) where: Base-Base interactions energy: -1475.075 where: short stacking energy: -574.431 Base-Backbone interact. energy: -4.040 local terms energy: -671.825970 where: bonds (distance) C4'-P energy: -123.967 bonds (distance) P-C4' energy: -134.178 flat angles C4'-P-C4' energy: -133.282 flat angles P-C4'-P energy: -109.734 tors. eta vs tors. theta energy: -170.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2056.056567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.056567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.056567 (E_RNA) where: Base-Base interactions energy: -1414.665 where: short stacking energy: -599.921 Base-Backbone interact. energy: -2.599 local terms energy: -638.792924 where: bonds (distance) C4'-P energy: -120.794 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -138.845 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -162.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1932.391748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.391748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.391748 (E_RNA) where: Base-Base interactions energy: -1331.160 where: short stacking energy: -552.009 Base-Backbone interact. energy: -3.246 local terms energy: -597.985706 where: bonds (distance) C4'-P energy: -110.912 bonds (distance) P-C4' energy: -112.215 flat angles C4'-P-C4' energy: -124.463 flat angles P-C4'-P energy: -93.942 tors. eta vs tors. theta energy: -156.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1873.202044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.202044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.202044 (E_RNA) where: Base-Base interactions energy: -1286.134 where: short stacking energy: -546.602 Base-Backbone interact. energy: -1.537 local terms energy: -585.530620 where: bonds (distance) C4'-P energy: -108.199 bonds (distance) P-C4' energy: -113.906 flat angles C4'-P-C4' energy: -125.727 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: -162.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1745.010723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.010723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.010723 (E_RNA) where: Base-Base interactions energy: -1176.713 where: short stacking energy: -508.885 Base-Backbone interact. energy: 0.943 local terms energy: -569.240586 where: bonds (distance) C4'-P energy: -111.787 bonds (distance) P-C4' energy: -111.350 flat angles C4'-P-C4' energy: -117.499 flat angles P-C4'-P energy: -79.803 tors. eta vs tors. theta energy: -148.802 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: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1522.727680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.727680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.727680 (E_RNA) where: Base-Base interactions energy: -1005.091 where: short stacking energy: -441.386 Base-Backbone interact. energy: -2.627 local terms energy: -515.009640 where: bonds (distance) C4'-P energy: -110.566 bonds (distance) P-C4' energy: -109.014 flat angles C4'-P-C4' energy: -112.759 flat angles P-C4'-P energy: -63.946 tors. eta vs tors. theta energy: -118.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1250.638598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.638598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.638598 (E_RNA) where: Base-Base interactions energy: -816.985 where: short stacking energy: -346.037 Base-Backbone interact. energy: 1.460 local terms energy: -435.113064 where: bonds (distance) C4'-P energy: -96.451 bonds (distance) P-C4' energy: -107.485 flat angles C4'-P-C4' energy: -92.360 flat angles P-C4'-P energy: -51.156 tors. eta vs tors. theta energy: -87.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -899.040410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.040410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.040410 (E_RNA) where: Base-Base interactions energy: -498.489 where: short stacking energy: -220.408 Base-Backbone interact. energy: 3.758 local terms energy: -404.309077 where: bonds (distance) C4'-P energy: -101.086 bonds (distance) P-C4' energy: -105.321 flat angles C4'-P-C4' energy: -108.704 flat angles P-C4'-P energy: -63.302 tors. eta vs tors. theta energy: -25.895 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: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -977.493217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.493217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.493217 (E_RNA) where: Base-Base interactions energy: -597.048 where: short stacking energy: -278.780 Base-Backbone interact. energy: 1.242 local terms energy: -381.687198 where: bonds (distance) C4'-P energy: -98.366 bonds (distance) P-C4' energy: -107.439 flat angles C4'-P-C4' energy: -93.242 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -47.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -2289.468488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.468488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.468488 (E_RNA) where: Base-Base interactions energy: -1600.291 where: short stacking energy: -662.632 Base-Backbone interact. energy: 1.431 local terms energy: -690.608314 where: bonds (distance) C4'-P energy: -125.557 bonds (distance) P-C4' energy: -131.259 flat angles C4'-P-C4' energy: -132.522 flat angles P-C4'-P energy: -97.486 tors. eta vs tors. theta energy: -203.784 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: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2179.449640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.449640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.449640 (E_RNA) where: Base-Base interactions energy: -1515.381 where: short stacking energy: -610.003 Base-Backbone interact. energy: -4.866 local terms energy: -659.202815 where: bonds (distance) C4'-P energy: -109.990 bonds (distance) P-C4' energy: -117.600 flat angles C4'-P-C4' energy: -149.278 flat angles P-C4'-P energy: -102.545 tors. eta vs tors. theta energy: -179.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2028.998454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.998454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.998454 (E_RNA) where: Base-Base interactions energy: -1425.084 where: short stacking energy: -580.442 Base-Backbone interact. energy: 2.105 local terms energy: -606.020052 where: bonds (distance) C4'-P energy: -118.403 bonds (distance) P-C4' energy: -125.494 flat angles C4'-P-C4' energy: -116.411 flat angles P-C4'-P energy: -94.076 tors. eta vs tors. theta energy: -151.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1974.477165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.477165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.477165 (E_RNA) where: Base-Base interactions energy: -1378.118 where: short stacking energy: -579.597 Base-Backbone interact. energy: -1.677 local terms energy: -594.681699 where: bonds (distance) C4'-P energy: -114.882 bonds (distance) P-C4' energy: -101.624 flat angles C4'-P-C4' energy: -130.061 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -167.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1884.484923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.484923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.484923 (E_RNA) where: Base-Base interactions energy: -1294.505 where: short stacking energy: -564.775 Base-Backbone interact. energy: -2.135 local terms energy: -587.844764 where: bonds (distance) C4'-P energy: -108.095 bonds (distance) P-C4' energy: -105.866 flat angles C4'-P-C4' energy: -114.684 flat angles P-C4'-P energy: -89.442 tors. eta vs tors. theta energy: -169.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1743.792090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.792090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.792090 (E_RNA) where: Base-Base interactions energy: -1179.014 where: short stacking energy: -503.335 Base-Backbone interact. energy: -2.535 local terms energy: -562.242633 where: bonds (distance) C4'-P energy: -105.860 bonds (distance) P-C4' energy: -89.859 flat angles C4'-P-C4' energy: -129.299 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -148.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1546.233834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.233834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.233834 (E_RNA) where: Base-Base interactions energy: -1028.947 where: short stacking energy: -462.843 Base-Backbone interact. energy: -0.521 local terms energy: -516.766164 where: bonds (distance) C4'-P energy: -101.343 bonds (distance) P-C4' energy: -114.374 flat angles C4'-P-C4' energy: -121.227 flat angles P-C4'-P energy: -72.586 tors. eta vs tors. theta energy: -107.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1246.918027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.918027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.918027 (E_RNA) where: Base-Base interactions energy: -796.352 where: short stacking energy: -358.430 Base-Backbone interact. energy: -2.792 local terms energy: -447.773912 where: bonds (distance) C4'-P energy: -94.005 bonds (distance) P-C4' energy: -88.848 flat angles C4'-P-C4' energy: -110.180 flat angles P-C4'-P energy: -63.339 tors. eta vs tors. theta energy: -91.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -974.967390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.967390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.967390 (E_RNA) where: Base-Base interactions energy: -590.910 where: short stacking energy: -269.598 Base-Backbone interact. energy: -1.211 local terms energy: -382.845967 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -101.289 flat angles C4'-P-C4' energy: -88.730 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -28.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -944.024980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.024980 (E_RNA) where: Base-Base interactions energy: -566.129 where: short stacking energy: -281.503 Base-Backbone interact. energy: -2.547 local terms energy: -375.349070 where: bonds (distance) C4'-P energy: -99.428 bonds (distance) P-C4' energy: -97.670 flat angles C4'-P-C4' energy: -87.475 flat angles P-C4'-P energy: -62.713 tors. eta vs tors. theta energy: -28.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -2290.782732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.782732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.782732 (E_RNA) where: Base-Base interactions energy: -1595.728 where: short stacking energy: -652.146 Base-Backbone interact. energy: -1.335 local terms energy: -693.719186 where: bonds (distance) C4'-P energy: -131.649 bonds (distance) P-C4' energy: -118.136 flat angles C4'-P-C4' energy: -137.582 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -204.015 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2177.245824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.245824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.245824 (E_RNA) where: Base-Base interactions energy: -1542.345 where: short stacking energy: -609.654 Base-Backbone interact. energy: -2.976 local terms energy: -631.925188 where: bonds (distance) C4'-P energy: -99.080 bonds (distance) P-C4' energy: -123.961 flat angles C4'-P-C4' energy: -122.180 flat angles P-C4'-P energy: -103.025 tors. eta vs tors. theta energy: -183.679 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: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2039.016391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.016391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.016391 (E_RNA) where: Base-Base interactions energy: -1396.792 where: short stacking energy: -594.555 Base-Backbone interact. energy: -1.948 local terms energy: -640.275848 where: bonds (distance) C4'-P energy: -129.571 bonds (distance) P-C4' energy: -116.850 flat angles C4'-P-C4' energy: -132.134 flat angles P-C4'-P energy: -88.675 tors. eta vs tors. theta energy: -173.046 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: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2009.045484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.045484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.045484 (E_RNA) where: Base-Base interactions energy: -1399.757 where: short stacking energy: -551.972 Base-Backbone interact. energy: -3.049 local terms energy: -606.239107 where: bonds (distance) C4'-P energy: -111.005 bonds (distance) P-C4' energy: -106.722 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -81.678 tors. eta vs tors. theta energy: -163.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1878.776917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.776917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.776917 (E_RNA) where: Base-Base interactions energy: -1291.702 where: short stacking energy: -558.512 Base-Backbone interact. energy: -1.266 local terms energy: -585.808677 where: bonds (distance) C4'-P energy: -102.560 bonds (distance) P-C4' energy: -119.114 flat angles C4'-P-C4' energy: -121.073 flat angles P-C4'-P energy: -72.485 tors. eta vs tors. theta energy: -170.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1741.695273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.695273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.695273 (E_RNA) where: Base-Base interactions energy: -1161.563 where: short stacking energy: -512.972 Base-Backbone interact. energy: -0.409 local terms energy: -579.722931 where: bonds (distance) C4'-P energy: -118.390 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -119.686 flat angles P-C4'-P energy: -70.866 tors. eta vs tors. theta energy: -163.482 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: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1630.962570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.962570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.962570 (E_RNA) where: Base-Base interactions energy: -1079.875 where: short stacking energy: -449.923 Base-Backbone interact. energy: 1.840 local terms energy: -552.928207 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -123.985 flat angles C4'-P-C4' energy: -118.720 flat angles P-C4'-P energy: -67.157 tors. eta vs tors. theta energy: -137.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1230.690342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.690342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.690342 (E_RNA) where: Base-Base interactions energy: -787.386 where: short stacking energy: -363.577 Base-Backbone interact. energy: 0.054 local terms energy: -443.358643 where: bonds (distance) C4'-P energy: -96.942 bonds (distance) P-C4' energy: -109.977 flat angles C4'-P-C4' energy: -89.703 flat angles P-C4'-P energy: -67.011 tors. eta vs tors. theta energy: -79.725 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: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1091.190921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.190921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.190921 (E_RNA) where: Base-Base interactions energy: -662.458 where: short stacking energy: -318.557 Base-Backbone interact. energy: -2.330 local terms energy: -426.402647 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -108.209 flat angles C4'-P-C4' energy: -95.410 flat angles P-C4'-P energy: -72.846 tors. eta vs tors. theta energy: -48.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -958.633838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.633838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.633838 (E_RNA) where: Base-Base interactions energy: -558.908 where: short stacking energy: -263.333 Base-Backbone interact. energy: 7.333 local terms energy: -407.059528 where: bonds (distance) C4'-P energy: -116.697 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -95.479 flat angles P-C4'-P energy: -50.756 tors. eta vs tors. theta energy: -44.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -2282.357439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.357439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.357439 (E_RNA) where: Base-Base interactions energy: -1590.346 where: short stacking energy: -653.177 Base-Backbone interact. energy: 1.528 local terms energy: -693.539444 where: bonds (distance) C4'-P energy: -126.482 bonds (distance) P-C4' energy: -131.415 flat angles C4'-P-C4' energy: -142.850 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -193.471 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: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2135.952627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.952627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.952627 (E_RNA) where: Base-Base interactions energy: -1493.869 where: short stacking energy: -602.689 Base-Backbone interact. energy: -4.803 local terms energy: -637.281281 where: bonds (distance) C4'-P energy: -124.616 bonds (distance) P-C4' energy: -112.685 flat angles C4'-P-C4' energy: -132.571 flat angles P-C4'-P energy: -93.579 tors. eta vs tors. theta energy: -173.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2046.416059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.416059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.416059 (E_RNA) where: Base-Base interactions energy: -1380.127 where: short stacking energy: -570.353 Base-Backbone interact. energy: 0.167 local terms energy: -666.456143 where: bonds (distance) C4'-P energy: -123.322 bonds (distance) P-C4' energy: -122.762 flat angles C4'-P-C4' energy: -145.345 flat angles P-C4'-P energy: -92.432 tors. eta vs tors. theta energy: -182.595 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: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1977.662690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.662690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.662690 (E_RNA) where: Base-Base interactions energy: -1368.945 where: short stacking energy: -546.668 Base-Backbone interact. energy: -2.804 local terms energy: -605.913615 where: bonds (distance) C4'-P energy: -101.061 bonds (distance) P-C4' energy: -117.217 flat angles C4'-P-C4' energy: -133.596 flat angles P-C4'-P energy: -96.682 tors. eta vs tors. theta energy: -157.358 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: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1914.578163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.578163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.578163 (E_RNA) where: Base-Base interactions energy: -1275.556 where: short stacking energy: -551.085 Base-Backbone interact. energy: -1.743 local terms energy: -637.278667 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -118.776 flat angles C4'-P-C4' energy: -137.129 flat angles P-C4'-P energy: -71.932 tors. eta vs tors. theta energy: -185.323 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: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1718.613316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.613316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.613316 (E_RNA) where: Base-Base interactions energy: -1160.628 where: short stacking energy: -500.999 Base-Backbone interact. energy: -0.992 local terms energy: -556.993471 where: bonds (distance) C4'-P energy: -103.272 bonds (distance) P-C4' energy: -112.712 flat angles C4'-P-C4' energy: -119.095 flat angles P-C4'-P energy: -82.930 tors. eta vs tors. theta energy: -138.984 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: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1563.156275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.156275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.156275 (E_RNA) where: Base-Base interactions energy: -1037.350 where: short stacking energy: -449.942 Base-Backbone interact. energy: 0.462 local terms energy: -526.268468 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -101.081 flat angles C4'-P-C4' energy: -101.952 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -129.394 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1212.706074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.706074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.706074 (E_RNA) where: Base-Base interactions energy: -721.256 where: short stacking energy: -320.596 Base-Backbone interact. energy: -2.054 local terms energy: -489.396189 where: bonds (distance) C4'-P energy: -119.149 bonds (distance) P-C4' energy: -127.000 flat angles C4'-P-C4' energy: -112.736 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -72.497 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: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1076.284798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.284798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.284798 (E_RNA) where: Base-Base interactions energy: -661.711 where: short stacking energy: -316.461 Base-Backbone interact. energy: -0.436 local terms energy: -414.137955 where: bonds (distance) C4'-P energy: -114.587 bonds (distance) P-C4' energy: -110.977 flat angles C4'-P-C4' energy: -103.360 flat angles P-C4'-P energy: -37.586 tors. eta vs tors. theta energy: -47.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -986.958709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.958709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.958709 (E_RNA) where: Base-Base interactions energy: -562.684 where: short stacking energy: -256.675 Base-Backbone interact. energy: 2.412 local terms energy: -426.686151 where: bonds (distance) C4'-P energy: -106.143 bonds (distance) P-C4' energy: -94.245 flat angles C4'-P-C4' energy: -105.642 flat angles P-C4'-P energy: -80.630 tors. eta vs tors. theta energy: -40.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -2281.538327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.538327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.538327 (E_RNA) where: Base-Base interactions energy: -1586.376 where: short stacking energy: -638.520 Base-Backbone interact. energy: -0.136 local terms energy: -695.026505 where: bonds (distance) C4'-P energy: -117.539 bonds (distance) P-C4' energy: -138.758 flat angles C4'-P-C4' energy: -148.114 flat angles P-C4'-P energy: -92.959 tors. eta vs tors. theta energy: -197.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2132.693781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.693781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.693781 (E_RNA) where: Base-Base interactions energy: -1491.046 where: short stacking energy: -590.798 Base-Backbone interact. energy: -2.472 local terms energy: -639.176718 where: bonds (distance) C4'-P energy: -109.178 bonds (distance) P-C4' energy: -127.610 flat angles C4'-P-C4' energy: -138.374 flat angles P-C4'-P energy: -89.390 tors. eta vs tors. theta energy: -174.625 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: 8 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2034.633182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.633182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.633182 (E_RNA) where: Base-Base interactions energy: -1417.686 where: short stacking energy: -574.636 Base-Backbone interact. energy: 1.171 local terms energy: -618.117686 where: bonds (distance) C4'-P energy: -115.263 bonds (distance) P-C4' energy: -123.247 flat angles C4'-P-C4' energy: -115.318 flat angles P-C4'-P energy: -87.449 tors. eta vs tors. theta energy: -176.840 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: 2 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1996.148790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.148790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.148790 (E_RNA) where: Base-Base interactions energy: -1374.818 where: short stacking energy: -556.428 Base-Backbone interact. energy: 0.220 local terms energy: -621.550038 where: bonds (distance) C4'-P energy: -112.987 bonds (distance) P-C4' energy: -110.194 flat angles C4'-P-C4' energy: -137.109 flat angles P-C4'-P energy: -93.622 tors. eta vs tors. theta energy: -167.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1860.448584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.448584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.448584 (E_RNA) where: Base-Base interactions energy: -1256.335 where: short stacking energy: -548.148 Base-Backbone interact. energy: -3.276 local terms energy: -600.837166 where: bonds (distance) C4'-P energy: -107.553 bonds (distance) P-C4' energy: -111.231 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -78.580 tors. eta vs tors. theta energy: -168.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1688.656788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.656788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.656788 (E_RNA) where: Base-Base interactions energy: -1136.314 where: short stacking energy: -485.977 Base-Backbone interact. energy: 0.309 local terms energy: -552.652447 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -110.287 flat angles C4'-P-C4' energy: -115.404 flat angles P-C4'-P energy: -75.251 tors. eta vs tors. theta energy: -134.883 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: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1601.620606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.620606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.620606 (E_RNA) where: Base-Base interactions energy: -1046.101 where: short stacking energy: -464.394 Base-Backbone interact. energy: 0.524 local terms energy: -556.043057 where: bonds (distance) C4'-P energy: -106.683 bonds (distance) P-C4' energy: -105.002 flat angles C4'-P-C4' energy: -137.860 flat angles P-C4'-P energy: -76.243 tors. eta vs tors. theta energy: -130.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1274.410267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.410267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.410267 (E_RNA) where: Base-Base interactions energy: -815.993 where: short stacking energy: -365.594 Base-Backbone interact. energy: -0.377 local terms energy: -458.040888 where: bonds (distance) C4'-P energy: -83.621 bonds (distance) P-C4' energy: -106.259 flat angles C4'-P-C4' energy: -104.186 flat angles P-C4'-P energy: -82.268 tors. eta vs tors. theta energy: -81.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1106.803473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.803473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.803473 (E_RNA) where: Base-Base interactions energy: -690.053 where: short stacking energy: -324.790 Base-Backbone interact. energy: 3.140 local terms energy: -419.890464 where: bonds (distance) C4'-P energy: -107.185 bonds (distance) P-C4' energy: -113.578 flat angles C4'-P-C4' energy: -97.782 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -47.144 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: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1006.750339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.750339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.750339 (E_RNA) where: Base-Base interactions energy: -620.126 where: short stacking energy: -280.858 Base-Backbone interact. energy: -0.431 local terms energy: -386.192950 where: bonds (distance) C4'-P energy: -89.883 bonds (distance) P-C4' energy: -92.919 flat angles C4'-P-C4' energy: -98.535 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -51.191 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: 173 Temperature: 0.900000 Total energy: -2281.963203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.963203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.963203 (E_RNA) where: Base-Base interactions energy: -1600.051 where: short stacking energy: -656.144 Base-Backbone interact. energy: -1.416 local terms energy: -680.496362 where: bonds (distance) C4'-P energy: -119.086 bonds (distance) P-C4' energy: -120.790 flat angles C4'-P-C4' energy: -146.403 flat angles P-C4'-P energy: -98.269 tors. eta vs tors. theta energy: -195.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2171.529236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.529236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.529236 (E_RNA) where: Base-Base interactions energy: -1503.482 where: short stacking energy: -612.794 Base-Backbone interact. energy: -6.548 local terms energy: -661.498929 where: bonds (distance) C4'-P energy: -114.975 bonds (distance) P-C4' energy: -116.727 flat angles C4'-P-C4' energy: -140.752 flat angles P-C4'-P energy: -108.815 tors. eta vs tors. theta energy: -180.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2039.522188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.522188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.522188 (E_RNA) where: Base-Base interactions energy: -1405.930 where: short stacking energy: -604.614 Base-Backbone interact. energy: 0.402 local terms energy: -633.993346 where: bonds (distance) C4'-P energy: -108.680 bonds (distance) P-C4' energy: -127.272 flat angles C4'-P-C4' energy: -133.994 flat angles P-C4'-P energy: -94.108 tors. eta vs tors. theta energy: -169.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2038.409663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.409663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.409663 (E_RNA) where: Base-Base interactions energy: -1429.388 where: short stacking energy: -554.734 Base-Backbone interact. energy: -0.450 local terms energy: -608.571777 where: bonds (distance) C4'-P energy: -101.605 bonds (distance) P-C4' energy: -107.204 flat angles C4'-P-C4' energy: -146.425 flat angles P-C4'-P energy: -87.929 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: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1877.701023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.701023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.701023 (E_RNA) where: Base-Base interactions energy: -1282.160 where: short stacking energy: -535.505 Base-Backbone interact. energy: -0.968 local terms energy: -594.573459 where: bonds (distance) C4'-P energy: -108.332 bonds (distance) P-C4' energy: -107.954 flat angles C4'-P-C4' energy: -126.430 flat angles P-C4'-P energy: -74.062 tors. eta vs tors. theta energy: -177.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1705.197150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.197150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.197150 (E_RNA) where: Base-Base interactions energy: -1148.850 where: short stacking energy: -496.036 Base-Backbone interact. energy: -1.101 local terms energy: -555.245493 where: bonds (distance) C4'-P energy: -98.782 bonds (distance) P-C4' energy: -100.576 flat angles C4'-P-C4' energy: -122.397 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -141.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1557.527360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.527360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.527360 (E_RNA) where: Base-Base interactions energy: -1033.881 where: short stacking energy: -473.493 Base-Backbone interact. energy: -3.954 local terms energy: -519.692595 where: bonds (distance) C4'-P energy: -97.148 bonds (distance) P-C4' energy: -102.201 flat angles C4'-P-C4' energy: -116.066 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -135.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1240.926653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.926653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.926653 (E_RNA) where: Base-Base interactions energy: -766.644 where: short stacking energy: -343.285 Base-Backbone interact. energy: -1.182 local terms energy: -473.101381 where: bonds (distance) C4'-P energy: -88.978 bonds (distance) P-C4' energy: -113.769 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -72.206 tors. eta vs tors. theta energy: -81.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1035.367725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.367725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.367725 (E_RNA) where: Base-Base interactions energy: -626.390 where: short stacking energy: -300.892 Base-Backbone interact. energy: -2.859 local terms energy: -406.119209 where: bonds (distance) C4'-P energy: -105.345 bonds (distance) P-C4' energy: -96.724 flat angles C4'-P-C4' energy: -99.940 flat angles P-C4'-P energy: -68.024 tors. eta vs tors. theta energy: -36.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1008.259469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.259469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.259469 (E_RNA) where: Base-Base interactions energy: -601.944 where: short stacking energy: -271.736 Base-Backbone interact. energy: 2.705 local terms energy: -409.020687 where: bonds (distance) C4'-P energy: -95.254 bonds (distance) P-C4' energy: -99.254 flat angles C4'-P-C4' energy: -101.690 flat angles P-C4'-P energy: -66.275 tors. eta vs tors. theta energy: -46.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -2289.767201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.767201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.767201 (E_RNA) where: Base-Base interactions energy: -1603.160 where: short stacking energy: -657.001 Base-Backbone interact. energy: 0.515 local terms energy: -687.121731 where: bonds (distance) C4'-P energy: -125.972 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -140.700 flat angles P-C4'-P energy: -98.909 tors. eta vs tors. theta energy: -201.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2155.285038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.285038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.285038 (E_RNA) where: Base-Base interactions energy: -1498.769 where: short stacking energy: -626.594 Base-Backbone interact. energy: -4.511 local terms energy: -652.004842 where: bonds (distance) C4'-P energy: -109.528 bonds (distance) P-C4' energy: -121.518 flat angles C4'-P-C4' energy: -152.333 flat angles P-C4'-P energy: -92.635 tors. eta vs tors. theta energy: -175.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2010.642112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.642112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.642112 (E_RNA) where: Base-Base interactions energy: -1367.009 where: short stacking energy: -572.732 Base-Backbone interact. energy: -1.304 local terms energy: -642.329997 where: bonds (distance) C4'-P energy: -110.440 bonds (distance) P-C4' energy: -128.305 flat angles C4'-P-C4' energy: -137.896 flat angles P-C4'-P energy: -92.408 tors. eta vs tors. theta energy: -173.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1982.226681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.226681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.226681 (E_RNA) where: Base-Base interactions energy: -1385.301 where: short stacking energy: -540.442 Base-Backbone interact. energy: -0.852 local terms energy: -596.073557 where: bonds (distance) C4'-P energy: -100.873 bonds (distance) P-C4' energy: -110.325 flat angles C4'-P-C4' energy: -134.506 flat angles P-C4'-P energy: -90.391 tors. eta vs tors. theta energy: -159.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1886.844653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.844653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.844653 (E_RNA) where: Base-Base interactions energy: -1296.658 where: short stacking energy: -538.967 Base-Backbone interact. energy: -0.122 local terms energy: -590.065066 where: bonds (distance) C4'-P energy: -108.950 bonds (distance) P-C4' energy: -109.972 flat angles C4'-P-C4' energy: -121.417 flat angles P-C4'-P energy: -82.070 tors. eta vs tors. theta energy: -167.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1704.893964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.893964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.893964 (E_RNA) where: Base-Base interactions energy: -1163.465 where: short stacking energy: -497.061 Base-Backbone interact. energy: 1.692 local terms energy: -543.121489 where: bonds (distance) C4'-P energy: -108.108 bonds (distance) P-C4' energy: -107.831 flat angles C4'-P-C4' energy: -118.419 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -129.493 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: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1629.556337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.556337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.556337 (E_RNA) where: Base-Base interactions energy: -1081.927 where: short stacking energy: -462.787 Base-Backbone interact. energy: -2.148 local terms energy: -545.481541 where: bonds (distance) C4'-P energy: -104.356 bonds (distance) P-C4' energy: -115.472 flat angles C4'-P-C4' energy: -115.527 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -130.663 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: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1224.749343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.749343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.749343 (E_RNA) where: Base-Base interactions energy: -787.099 where: short stacking energy: -343.953 Base-Backbone interact. energy: 3.854 local terms energy: -441.504305 where: bonds (distance) C4'-P energy: -111.513 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -105.464 flat angles P-C4'-P energy: -64.017 tors. eta vs tors. theta energy: -68.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1048.005396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.005396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.005396 (E_RNA) where: Base-Base interactions energy: -629.105 where: short stacking energy: -286.608 Base-Backbone interact. energy: -1.052 local terms energy: -417.849285 where: bonds (distance) C4'-P energy: -94.334 bonds (distance) P-C4' energy: -105.994 flat angles C4'-P-C4' energy: -98.540 flat angles P-C4'-P energy: -62.503 tors. eta vs tors. theta energy: -56.479 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: 10, replica: 1 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -987.187901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.187901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.187901 (E_RNA) where: Base-Base interactions energy: -588.723 where: short stacking energy: -280.162 Base-Backbone interact. energy: -0.910 local terms energy: -397.554926 where: bonds (distance) C4'-P energy: -100.755 bonds (distance) P-C4' energy: -88.319 flat angles C4'-P-C4' energy: -102.158 flat angles P-C4'-P energy: -53.465 tors. eta vs tors. theta energy: -52.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -2298.248883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.248883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.248883 (E_RNA) where: Base-Base interactions energy: -1617.002 where: short stacking energy: -659.509 Base-Backbone interact. energy: -1.972 local terms energy: -679.274397 where: bonds (distance) C4'-P energy: -124.266 bonds (distance) P-C4' energy: -117.904 flat angles C4'-P-C4' energy: -137.566 flat angles P-C4'-P energy: -95.242 tors. eta vs tors. theta energy: -204.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2120.025598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.025598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.025598 (E_RNA) where: Base-Base interactions energy: -1473.502 where: short stacking energy: -592.358 Base-Backbone interact. energy: -6.018 local terms energy: -640.506164 where: bonds (distance) C4'-P energy: -106.396 bonds (distance) P-C4' energy: -117.763 flat angles C4'-P-C4' energy: -147.883 flat angles P-C4'-P energy: -90.890 tors. eta vs tors. theta energy: -177.574 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: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2040.765016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.765016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.765016 (E_RNA) where: Base-Base interactions energy: -1422.825 where: short stacking energy: -608.600 Base-Backbone interact. energy: -0.453 local terms energy: -617.486885 where: bonds (distance) C4'-P energy: -109.801 bonds (distance) P-C4' energy: -117.876 flat angles C4'-P-C4' energy: -139.293 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -180.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2023.585056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.585056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.585056 (E_RNA) where: Base-Base interactions energy: -1383.523 where: short stacking energy: -553.800 Base-Backbone interact. energy: -0.859 local terms energy: -639.203250 where: bonds (distance) C4'-P energy: -116.606 bonds (distance) P-C4' energy: -128.547 flat angles C4'-P-C4' energy: -138.373 flat angles P-C4'-P energy: -86.618 tors. eta vs tors. theta energy: -169.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1861.426460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.426460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.426460 (E_RNA) where: Base-Base interactions energy: -1273.395 where: short stacking energy: -538.445 Base-Backbone interact. energy: -0.935 local terms energy: -587.096867 where: bonds (distance) C4'-P energy: -117.692 bonds (distance) P-C4' energy: -110.026 flat angles C4'-P-C4' energy: -120.874 flat angles P-C4'-P energy: -70.155 tors. eta vs tors. theta energy: -168.349 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: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1670.383128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.383128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.383128 (E_RNA) where: Base-Base interactions energy: -1122.819 where: short stacking energy: -465.635 Base-Backbone interact. energy: 1.762 local terms energy: -549.325839 where: bonds (distance) C4'-P energy: -96.873 bonds (distance) P-C4' energy: -113.212 flat angles C4'-P-C4' energy: -131.550 flat angles P-C4'-P energy: -81.494 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: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1646.901402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.901402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.901402 (E_RNA) where: Base-Base interactions energy: -1110.815 where: short stacking energy: -471.089 Base-Backbone interact. energy: 2.173 local terms energy: -538.259021 where: bonds (distance) C4'-P energy: -92.066 bonds (distance) P-C4' energy: -121.431 flat angles C4'-P-C4' energy: -122.403 flat angles P-C4'-P energy: -81.254 tors. eta vs tors. theta energy: -121.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1222.176454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.176454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.176454 (E_RNA) where: Base-Base interactions energy: -797.036 where: short stacking energy: -349.991 Base-Backbone interact. energy: 3.968 local terms energy: -429.109157 where: bonds (distance) C4'-P energy: -104.875 bonds (distance) P-C4' energy: -94.183 flat angles C4'-P-C4' energy: -107.294 flat angles P-C4'-P energy: -58.008 tors. eta vs tors. theta energy: -64.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1060.887149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.887149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.887149 (E_RNA) where: Base-Base interactions energy: -629.893 where: short stacking energy: -294.922 Base-Backbone interact. energy: 1.993 local terms energy: -432.987042 where: bonds (distance) C4'-P energy: -107.325 bonds (distance) P-C4' energy: -109.718 flat angles C4'-P-C4' energy: -90.128 flat angles P-C4'-P energy: -78.837 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: 10, replica: 1 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -998.884360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.884360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.884360 (E_RNA) where: Base-Base interactions energy: -603.645 where: short stacking energy: -275.503 Base-Backbone interact. energy: -0.830 local terms energy: -394.409607 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -95.468 flat angles C4'-P-C4' energy: -82.794 flat angles P-C4'-P energy: -61.785 tors. eta vs tors. theta energy: -46.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2332.699340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.699340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.699340 (E_RNA) where: Base-Base interactions energy: -1629.177 where: short stacking energy: -662.950 Base-Backbone interact. energy: -1.973 local terms energy: -701.549488 where: bonds (distance) C4'-P energy: -115.232 bonds (distance) P-C4' energy: -125.037 flat angles C4'-P-C4' energy: -146.209 flat angles P-C4'-P energy: -106.334 tors. eta vs tors. theta energy: -208.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2129.990529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.990529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.990529 (E_RNA) where: Base-Base interactions energy: -1470.832 where: short stacking energy: -613.893 Base-Backbone interact. energy: -3.525 local terms energy: -655.633252 where: bonds (distance) C4'-P energy: -109.886 bonds (distance) P-C4' energy: -127.872 flat angles C4'-P-C4' energy: -138.755 flat angles P-C4'-P energy: -99.447 tors. eta vs tors. theta energy: -179.674 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: 3, replica: 8 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2017.549852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.549852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.549852 (E_RNA) where: Base-Base interactions energy: -1392.765 where: short stacking energy: -585.696 Base-Backbone interact. energy: 1.207 local terms energy: -625.991457 where: bonds (distance) C4'-P energy: -106.531 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -138.344 flat angles P-C4'-P energy: -98.131 tors. eta vs tors. theta energy: -170.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2042.224423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.224423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.224423 (E_RNA) where: Base-Base interactions energy: -1433.470 where: short stacking energy: -553.072 Base-Backbone interact. energy: 0.005 local terms energy: -608.759602 where: bonds (distance) C4'-P energy: -113.402 bonds (distance) P-C4' energy: -102.372 flat angles C4'-P-C4' energy: -138.384 flat angles P-C4'-P energy: -87.460 tors. eta vs tors. theta energy: -167.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1861.747279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.747279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.747279 (E_RNA) where: Base-Base interactions energy: -1232.224 where: short stacking energy: -526.523 Base-Backbone interact. energy: -1.432 local terms energy: -628.091943 where: bonds (distance) C4'-P energy: -125.615 bonds (distance) P-C4' energy: -118.279 flat angles C4'-P-C4' energy: -127.334 flat angles P-C4'-P energy: -94.135 tors. eta vs tors. theta energy: -162.729 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: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1622.038995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.038995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.038995 (E_RNA) where: Base-Base interactions energy: -1084.804 where: short stacking energy: -456.172 Base-Backbone interact. energy: -1.301 local terms energy: -535.934466 where: bonds (distance) C4'-P energy: -102.032 bonds (distance) P-C4' energy: -113.921 flat angles C4'-P-C4' energy: -120.146 flat angles P-C4'-P energy: -81.096 tors. eta vs tors. theta energy: -118.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1606.563076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.563076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.563076 (E_RNA) where: Base-Base interactions energy: -1090.248 where: short stacking energy: -467.493 Base-Backbone interact. energy: 1.321 local terms energy: -517.636163 where: bonds (distance) C4'-P energy: -105.753 bonds (distance) P-C4' energy: -93.133 flat angles C4'-P-C4' energy: -101.109 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -134.997 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: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1170.639690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.639690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.639690 (E_RNA) where: Base-Base interactions energy: -715.926 where: short stacking energy: -341.488 Base-Backbone interact. energy: 0.948 local terms energy: -455.661120 where: bonds (distance) C4'-P energy: -100.147 bonds (distance) P-C4' energy: -114.383 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: -76.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1056.785794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.785794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.785794 (E_RNA) where: Base-Base interactions energy: -619.043 where: short stacking energy: -263.888 Base-Backbone interact. energy: -0.643 local terms energy: -437.099367 where: bonds (distance) C4'-P energy: -108.679 bonds (distance) P-C4' energy: -117.681 flat angles C4'-P-C4' energy: -93.441 flat angles P-C4'-P energy: -64.968 tors. eta vs tors. theta energy: -52.331 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: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1004.005663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.005663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.005663 (E_RNA) where: Base-Base interactions energy: -616.137 where: short stacking energy: -283.952 Base-Backbone interact. energy: -2.929 local terms energy: -384.940210 where: bonds (distance) C4'-P energy: -100.366 bonds (distance) P-C4' energy: -100.481 flat angles C4'-P-C4' energy: -90.736 flat angles P-C4'-P energy: -45.824 tors. eta vs tors. theta energy: -47.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -2276.319452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.319452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.319452 (E_RNA) where: Base-Base interactions energy: -1585.144 where: short stacking energy: -659.461 Base-Backbone interact. energy: -1.854 local terms energy: -689.321619 where: bonds (distance) C4'-P energy: -123.979 bonds (distance) P-C4' energy: -123.939 flat angles C4'-P-C4' energy: -152.460 flat angles P-C4'-P energy: -97.979 tors. eta vs tors. theta energy: -190.965 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: 10 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2137.278573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.278573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.278573 (E_RNA) where: Base-Base interactions energy: -1477.313 where: short stacking energy: -614.860 Base-Backbone interact. energy: -2.462 local terms energy: -657.503147 where: bonds (distance) C4'-P energy: -118.706 bonds (distance) P-C4' energy: -119.225 flat angles C4'-P-C4' energy: -141.121 flat angles P-C4'-P energy: -95.561 tors. eta vs tors. theta energy: -182.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2011.240796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.240796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.240796 (E_RNA) where: Base-Base interactions energy: -1380.907 where: short stacking energy: -588.015 Base-Backbone interact. energy: -1.810 local terms energy: -628.524668 where: bonds (distance) C4'-P energy: -111.954 bonds (distance) P-C4' energy: -120.540 flat angles C4'-P-C4' energy: -131.618 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -171.232 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: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1988.857598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.857598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.857598 (E_RNA) where: Base-Base interactions energy: -1385.820 where: short stacking energy: -525.687 Base-Backbone interact. energy: -2.638 local terms energy: -600.399657 where: bonds (distance) C4'-P energy: -111.869 bonds (distance) P-C4' energy: -112.265 flat angles C4'-P-C4' energy: -125.094 flat angles P-C4'-P energy: -92.169 tors. eta vs tors. theta energy: -159.002 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1811.248536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.248536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.248536 (E_RNA) where: Base-Base interactions energy: -1221.870 where: short stacking energy: -531.281 Base-Backbone interact. energy: 1.200 local terms energy: -590.577816 where: bonds (distance) C4'-P energy: -102.068 bonds (distance) P-C4' energy: -116.848 flat angles C4'-P-C4' energy: -119.831 flat angles P-C4'-P energy: -89.694 tors. eta vs tors. theta energy: -162.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1648.808636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.808636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.808636 (E_RNA) where: Base-Base interactions energy: -1093.194 where: short stacking energy: -477.277 Base-Backbone interact. energy: -1.015 local terms energy: -554.599480 where: bonds (distance) C4'-P energy: -102.555 bonds (distance) P-C4' energy: -118.516 flat angles C4'-P-C4' energy: -123.616 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -137.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1618.123466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.123466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.123466 (E_RNA) where: Base-Base interactions energy: -1081.538 where: short stacking energy: -447.257 Base-Backbone interact. energy: -2.548 local terms energy: -534.037603 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -114.942 flat angles C4'-P-C4' energy: -115.933 flat angles P-C4'-P energy: -78.715 tors. eta vs tors. theta energy: -125.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1176.890213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.890213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.890213 (E_RNA) where: Base-Base interactions energy: -753.275 where: short stacking energy: -346.696 Base-Backbone interact. energy: -1.889 local terms energy: -421.726649 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -94.785 flat angles C4'-P-C4' energy: -100.382 flat angles P-C4'-P energy: -68.897 tors. eta vs tors. theta energy: -67.878 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: 7 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1067.100244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.100244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.100244 (E_RNA) where: Base-Base interactions energy: -650.228 where: short stacking energy: -289.358 Base-Backbone interact. energy: 0.033 local terms energy: -416.905189 where: bonds (distance) C4'-P energy: -105.390 bonds (distance) P-C4' energy: -116.450 flat angles C4'-P-C4' energy: -101.725 flat angles P-C4'-P energy: -41.032 tors. eta vs tors. theta energy: -52.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1009.098321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.098321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.098321 (E_RNA) where: Base-Base interactions energy: -594.291 where: short stacking energy: -258.241 Base-Backbone interact. energy: -1.452 local terms energy: -413.354851 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -100.673 flat angles C4'-P-C4' energy: -112.457 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: -40.010 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: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -2256.510211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.510211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.510211 (E_RNA) where: Base-Base interactions energy: -1567.793 where: short stacking energy: -647.126 Base-Backbone interact. energy: 1.973 local terms energy: -690.689509 where: bonds (distance) C4'-P energy: -129.376 bonds (distance) P-C4' energy: -127.169 flat angles C4'-P-C4' energy: -144.936 flat angles P-C4'-P energy: -98.320 tors. eta vs tors. theta energy: -190.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2147.100317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.100317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.100317 (E_RNA) where: Base-Base interactions energy: -1483.936 where: short stacking energy: -609.217 Base-Backbone interact. energy: -2.071 local terms energy: -661.092607 where: bonds (distance) C4'-P energy: -113.557 bonds (distance) P-C4' energy: -126.571 flat angles C4'-P-C4' energy: -144.959 flat angles P-C4'-P energy: -88.552 tors. eta vs tors. theta energy: -187.454 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: 2 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2011.431893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.431893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.431893 (E_RNA) where: Base-Base interactions energy: -1388.396 where: short stacking energy: -532.607 Base-Backbone interact. energy: -2.897 local terms energy: -620.138290 where: bonds (distance) C4'-P energy: -120.638 bonds (distance) P-C4' energy: -126.624 flat angles C4'-P-C4' energy: -132.450 flat angles P-C4'-P energy: -98.718 tors. eta vs tors. theta energy: -141.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1963.160725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.160725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.160725 (E_RNA) where: Base-Base interactions energy: -1371.025 where: short stacking energy: -573.632 Base-Backbone interact. energy: -1.062 local terms energy: -591.073618 where: bonds (distance) C4'-P energy: -103.364 bonds (distance) P-C4' energy: -102.555 flat angles C4'-P-C4' energy: -122.312 flat angles P-C4'-P energy: -93.263 tors. eta vs tors. theta energy: -169.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1816.381216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.381216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.381216 (E_RNA) where: Base-Base interactions energy: -1229.672 where: short stacking energy: -519.189 Base-Backbone interact. energy: -1.280 local terms energy: -585.429300 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -121.101 flat angles C4'-P-C4' energy: -123.708 flat angles P-C4'-P energy: -78.532 tors. eta vs tors. theta energy: -154.348 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: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1627.240047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.240047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.240047 (E_RNA) where: Base-Base interactions energy: -1066.181 where: short stacking energy: -471.510 Base-Backbone interact. energy: 4.692 local terms energy: -565.751170 where: bonds (distance) C4'-P energy: -103.593 bonds (distance) P-C4' energy: -118.825 flat angles C4'-P-C4' energy: -130.560 flat angles P-C4'-P energy: -72.718 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: 7, replica: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1565.677715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.677715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.677715 (E_RNA) where: Base-Base interactions energy: -1058.268 where: short stacking energy: -458.364 Base-Backbone interact. energy: 0.836 local terms energy: -508.245791 where: bonds (distance) C4'-P energy: -85.435 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -122.004 flat angles P-C4'-P energy: -68.257 tors. eta vs tors. theta energy: -118.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1139.890150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.890150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.890150 (E_RNA) where: Base-Base interactions energy: -717.510 where: short stacking energy: -320.264 Base-Backbone interact. energy: 1.523 local terms energy: -423.903237 where: bonds (distance) C4'-P energy: -96.945 bonds (distance) P-C4' energy: -101.929 flat angles C4'-P-C4' energy: -104.185 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -61.178 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: 7 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1013.506803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.506803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.506803 (E_RNA) where: Base-Base interactions energy: -603.366 where: short stacking energy: -279.933 Base-Backbone interact. energy: 0.305 local terms energy: -410.445782 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -112.871 flat angles C4'-P-C4' energy: -99.083 flat angles P-C4'-P energy: -57.747 tors. eta vs tors. theta energy: -49.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -974.267457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.267457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.267457 (E_RNA) where: Base-Base interactions energy: -580.865 where: short stacking energy: -281.624 Base-Backbone interact. energy: 3.132 local terms energy: -396.534762 where: bonds (distance) C4'-P energy: -99.396 bonds (distance) P-C4' energy: -109.793 flat angles C4'-P-C4' energy: -91.198 flat angles P-C4'-P energy: -53.425 tors. eta vs tors. theta energy: -42.722 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: 179 Temperature: 0.900000 Total energy: -2292.907056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.907056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.907056 (E_RNA) where: Base-Base interactions energy: -1622.465 where: short stacking energy: -664.849 Base-Backbone interact. energy: -2.358 local terms energy: -668.083773 where: bonds (distance) C4'-P energy: -120.375 bonds (distance) P-C4' energy: -123.508 flat angles C4'-P-C4' energy: -143.150 flat angles P-C4'-P energy: -83.922 tors. eta vs tors. theta energy: -197.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2151.343626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.343626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.343626 (E_RNA) where: Base-Base interactions energy: -1519.370 where: short stacking energy: -619.405 Base-Backbone interact. energy: -2.647 local terms energy: -629.326295 where: bonds (distance) C4'-P energy: -116.346 bonds (distance) P-C4' energy: -97.838 flat angles C4'-P-C4' energy: -136.642 flat angles P-C4'-P energy: -94.599 tors. eta vs tors. theta energy: -183.900 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: 3, replica: 2 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2012.962569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.962569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.962569 (E_RNA) where: Base-Base interactions energy: -1406.540 where: short stacking energy: -575.885 Base-Backbone interact. energy: -2.418 local terms energy: -604.005049 where: bonds (distance) C4'-P energy: -127.382 bonds (distance) P-C4' energy: -122.498 flat angles C4'-P-C4' energy: -126.104 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -146.800 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: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1990.954363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.954363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.954363 (E_RNA) where: Base-Base interactions energy: -1360.379 where: short stacking energy: -561.494 Base-Backbone interact. energy: 0.215 local terms energy: -630.789896 where: bonds (distance) C4'-P energy: -106.798 bonds (distance) P-C4' energy: -128.271 flat angles C4'-P-C4' energy: -142.480 flat angles P-C4'-P energy: -84.544 tors. eta vs tors. theta energy: -168.696 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: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1858.756884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.756884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.756884 (E_RNA) where: Base-Base interactions energy: -1296.577 where: short stacking energy: -536.429 Base-Backbone interact. energy: -0.145 local terms energy: -562.034703 where: bonds (distance) C4'-P energy: -88.761 bonds (distance) P-C4' energy: -105.493 flat angles C4'-P-C4' energy: -116.921 flat angles P-C4'-P energy: -93.173 tors. eta vs tors. theta energy: -157.687 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: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1610.130934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.130934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.130934 (E_RNA) where: Base-Base interactions energy: -1100.131 where: short stacking energy: -466.957 Base-Backbone interact. energy: -1.066 local terms energy: -508.933934 where: bonds (distance) C4'-P energy: -107.094 bonds (distance) P-C4' energy: -107.372 flat angles C4'-P-C4' energy: -118.196 flat angles P-C4'-P energy: -67.560 tors. eta vs tors. theta energy: -108.712 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: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1575.294133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.294133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.294133 (E_RNA) where: Base-Base interactions energy: -1069.348 where: short stacking energy: -444.367 Base-Backbone interact. energy: -2.184 local terms energy: -503.762463 where: bonds (distance) C4'-P energy: -90.005 bonds (distance) P-C4' energy: -109.836 flat angles C4'-P-C4' energy: -111.217 flat angles P-C4'-P energy: -84.158 tors. eta vs tors. theta energy: -108.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1102.722520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.722520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.722520 (E_RNA) where: Base-Base interactions energy: -675.120 where: short stacking energy: -326.773 Base-Backbone interact. energy: -0.979 local terms energy: -426.623481 where: bonds (distance) C4'-P energy: -91.002 bonds (distance) P-C4' energy: -100.856 flat angles C4'-P-C4' energy: -109.112 flat angles P-C4'-P energy: -61.871 tors. eta vs tors. theta energy: -63.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1040.395920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.395920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.395920 (E_RNA) where: Base-Base interactions energy: -611.503 where: short stacking energy: -286.960 Base-Backbone interact. energy: 0.809 local terms energy: -429.701352 where: bonds (distance) C4'-P energy: -118.137 bonds (distance) P-C4' energy: -98.061 flat angles C4'-P-C4' energy: -107.394 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -40.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1067.313144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.313144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.313144 (E_RNA) where: Base-Base interactions energy: -649.716 where: short stacking energy: -298.753 Base-Backbone interact. energy: 1.343 local terms energy: -418.940039 where: bonds (distance) C4'-P energy: -103.177 bonds (distance) P-C4' energy: -104.143 flat angles C4'-P-C4' energy: -103.138 flat angles P-C4'-P energy: -66.595 tors. eta vs tors. theta energy: -41.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -2313.769644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.769644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.769644 (E_RNA) where: Base-Base interactions energy: -1608.085 where: short stacking energy: -674.863 Base-Backbone interact. energy: 0.156 local terms energy: -705.840243 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -135.570 flat angles C4'-P-C4' energy: -140.499 flat angles P-C4'-P energy: -96.538 tors. eta vs tors. theta energy: -201.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2187.463856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.463856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.463856 (E_RNA) where: Base-Base interactions energy: -1540.529 where: short stacking energy: -639.962 Base-Backbone interact. energy: -4.698 local terms energy: -642.236882 where: bonds (distance) C4'-P energy: -117.059 bonds (distance) P-C4' energy: -112.920 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -101.139 tors. eta vs tors. theta energy: -181.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2020.243962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.243962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.243962 (E_RNA) where: Base-Base interactions energy: -1411.228 where: short stacking energy: -558.916 Base-Backbone interact. energy: 0.020 local terms energy: -609.036384 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -122.486 flat angles C4'-P-C4' energy: -116.756 flat angles P-C4'-P energy: -90.302 tors. eta vs tors. theta energy: -156.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1980.554393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.554393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.554393 (E_RNA) where: Base-Base interactions energy: -1381.149 where: short stacking energy: -561.680 Base-Backbone interact. energy: -0.606 local terms energy: -598.799261 where: bonds (distance) C4'-P energy: -122.452 bonds (distance) P-C4' energy: -112.849 flat angles C4'-P-C4' energy: -123.050 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -160.681 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: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1833.048098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.048098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.048098 (E_RNA) where: Base-Base interactions energy: -1268.787 where: short stacking energy: -531.905 Base-Backbone interact. energy: -2.207 local terms energy: -562.054557 where: bonds (distance) C4'-P energy: -99.813 bonds (distance) P-C4' energy: -112.796 flat angles C4'-P-C4' energy: -119.655 flat angles P-C4'-P energy: -65.253 tors. eta vs tors. theta energy: -164.538 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: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1624.263917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.263917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.263917 (E_RNA) where: Base-Base interactions energy: -1083.845 where: short stacking energy: -477.271 Base-Backbone interact. energy: 0.695 local terms energy: -541.113846 where: bonds (distance) C4'-P energy: -117.415 bonds (distance) P-C4' energy: -115.074 flat angles C4'-P-C4' energy: -114.604 flat angles P-C4'-P energy: -78.444 tors. eta vs tors. theta energy: -115.576 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: 180 Temperature: 1.200000 Total energy: -1547.367972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.367972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.367972 (E_RNA) where: Base-Base interactions energy: -1045.735 where: short stacking energy: -433.963 Base-Backbone interact. energy: -0.608 local terms energy: -501.024336 where: bonds (distance) C4'-P energy: -88.580 bonds (distance) P-C4' energy: -101.502 flat angles C4'-P-C4' energy: -121.222 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -115.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1118.709201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.709201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.709201 (E_RNA) where: Base-Base interactions energy: -688.545 where: short stacking energy: -340.212 Base-Backbone interact. energy: 1.024 local terms energy: -431.188581 where: bonds (distance) C4'-P energy: -95.242 bonds (distance) P-C4' energy: -104.956 flat angles C4'-P-C4' energy: -109.670 flat angles P-C4'-P energy: -60.883 tors. eta vs tors. theta energy: -60.437 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: 7 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1064.109942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.109942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.109942 (E_RNA) where: Base-Base interactions energy: -632.713 where: short stacking energy: -299.298 Base-Backbone interact. energy: -2.477 local terms energy: -428.919824 where: bonds (distance) C4'-P energy: -88.811 bonds (distance) P-C4' energy: -112.995 flat angles C4'-P-C4' energy: -104.094 flat angles P-C4'-P energy: -72.969 tors. eta vs tors. theta energy: -50.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1127.404580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.404580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.404580 (E_RNA) where: Base-Base interactions energy: -717.895 where: short stacking energy: -333.924 Base-Backbone interact. energy: 1.316 local terms energy: -410.825101 where: bonds (distance) C4'-P energy: -107.072 bonds (distance) P-C4' energy: -87.022 flat angles C4'-P-C4' energy: -74.944 flat angles P-C4'-P energy: -58.225 tors. eta vs tors. theta energy: -83.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -2293.028956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.028956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.028956 (E_RNA) where: Base-Base interactions energy: -1602.173 where: short stacking energy: -656.713 Base-Backbone interact. energy: -1.853 local terms energy: -689.003710 where: bonds (distance) C4'-P energy: -130.544 bonds (distance) P-C4' energy: -106.333 flat angles C4'-P-C4' energy: -150.480 flat angles P-C4'-P energy: -96.831 tors. eta vs tors. theta energy: -204.815 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: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2164.914366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.914366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.914366 (E_RNA) where: Base-Base interactions energy: -1543.331 where: short stacking energy: -616.415 Base-Backbone interact. energy: -4.287 local terms energy: -617.296334 where: bonds (distance) C4'-P energy: -109.328 bonds (distance) P-C4' energy: -116.052 flat angles C4'-P-C4' energy: -121.988 flat angles P-C4'-P energy: -82.631 tors. eta vs tors. theta energy: -187.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2034.331033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.331033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.331033 (E_RNA) where: Base-Base interactions energy: -1416.372 where: short stacking energy: -583.556 Base-Backbone interact. energy: -3.410 local terms energy: -614.549267 where: bonds (distance) C4'-P energy: -106.019 bonds (distance) P-C4' energy: -107.264 flat angles C4'-P-C4' energy: -128.297 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -174.160 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1994.556044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.556044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.556044 (E_RNA) where: Base-Base interactions energy: -1382.371 where: short stacking energy: -579.710 Base-Backbone interact. energy: 0.625 local terms energy: -612.809131 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -102.408 flat angles C4'-P-C4' energy: -123.105 flat angles P-C4'-P energy: -96.666 tors. eta vs tors. theta energy: -178.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1859.187774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.187774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.187774 (E_RNA) where: Base-Base interactions energy: -1284.528 where: short stacking energy: -545.784 Base-Backbone interact. energy: -1.476 local terms energy: -573.184001 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -98.489 flat angles C4'-P-C4' energy: -121.114 flat angles P-C4'-P energy: -82.618 tors. eta vs tors. theta energy: -164.391 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: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1653.230259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.230259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.230259 (E_RNA) where: Base-Base interactions energy: -1114.766 where: short stacking energy: -473.103 Base-Backbone interact. energy: -0.681 local terms energy: -537.782805 where: bonds (distance) C4'-P energy: -106.597 bonds (distance) P-C4' energy: -111.948 flat angles C4'-P-C4' energy: -116.457 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -125.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1538.192955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.192955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.192955 (E_RNA) where: Base-Base interactions energy: -1017.615 where: short stacking energy: -416.217 Base-Backbone interact. energy: -1.615 local terms energy: -518.963048 where: bonds (distance) C4'-P energy: -106.003 bonds (distance) P-C4' energy: -103.442 flat angles C4'-P-C4' energy: -120.322 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -105.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1109.614725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.614725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.614725 (E_RNA) where: Base-Base interactions energy: -654.716 where: short stacking energy: -312.602 Base-Backbone interact. energy: -3.079 local terms energy: -451.819228 where: bonds (distance) C4'-P energy: -118.569 bonds (distance) P-C4' energy: -93.179 flat angles C4'-P-C4' energy: -111.975 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -66.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1055.413085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.413085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.413085 (E_RNA) where: Base-Base interactions energy: -641.348 where: short stacking energy: -274.857 Base-Backbone interact. energy: 0.202 local terms energy: -414.267424 where: bonds (distance) C4'-P energy: -94.887 bonds (distance) P-C4' energy: -104.932 flat angles C4'-P-C4' energy: -104.081 flat angles P-C4'-P energy: -61.036 tors. eta vs tors. theta energy: -49.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1130.399080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.399080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.399080 (E_RNA) where: Base-Base interactions energy: -692.214 where: short stacking energy: -310.501 Base-Backbone interact. energy: -0.615 local terms energy: -437.570845 where: bonds (distance) C4'-P energy: -95.061 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -109.059 flat angles P-C4'-P energy: -64.388 tors. eta vs tors. theta energy: -62.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -2287.648797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.648797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.648797 (E_RNA) where: Base-Base interactions energy: -1580.184 where: short stacking energy: -649.303 Base-Backbone interact. energy: 0.582 local terms energy: -708.046439 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -132.203 flat angles C4'-P-C4' energy: -143.810 flat angles P-C4'-P energy: -100.236 tors. eta vs tors. theta energy: -204.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2174.821242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.821242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.821242 (E_RNA) where: Base-Base interactions energy: -1524.306 where: short stacking energy: -613.810 Base-Backbone interact. energy: -0.043 local terms energy: -650.471944 where: bonds (distance) C4'-P energy: -110.237 bonds (distance) P-C4' energy: -114.841 flat angles C4'-P-C4' energy: -140.640 flat angles P-C4'-P energy: -99.337 tors. eta vs tors. theta energy: -185.416 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: 2 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2017.680021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.680021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.680021 (E_RNA) where: Base-Base interactions energy: -1408.223 where: short stacking energy: -557.119 Base-Backbone interact. energy: -2.397 local terms energy: -607.060152 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -115.682 flat angles C4'-P-C4' energy: -132.319 flat angles P-C4'-P energy: -88.556 tors. eta vs tors. theta energy: -154.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1960.371781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.371781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.371781 (E_RNA) where: Base-Base interactions energy: -1337.669 where: short stacking energy: -573.597 Base-Backbone interact. energy: -1.562 local terms energy: -621.140623 where: bonds (distance) C4'-P energy: -114.628 bonds (distance) P-C4' energy: -115.037 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -77.234 tors. eta vs tors. theta energy: -182.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1868.909641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.909641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.909641 (E_RNA) where: Base-Base interactions energy: -1269.487 where: short stacking energy: -522.293 Base-Backbone interact. energy: -1.568 local terms energy: -597.854297 where: bonds (distance) C4'-P energy: -108.818 bonds (distance) P-C4' energy: -106.226 flat angles C4'-P-C4' energy: -131.850 flat angles P-C4'-P energy: -102.448 tors. eta vs tors. theta energy: -148.511 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: 182 Temperature: 1.150000 Total energy: -1720.970429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.970429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.970429 (E_RNA) where: Base-Base interactions energy: -1163.169 where: short stacking energy: -485.926 Base-Backbone interact. energy: -0.854 local terms energy: -556.947895 where: bonds (distance) C4'-P energy: -106.281 bonds (distance) P-C4' energy: -114.797 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -79.544 tors. eta vs tors. theta energy: -130.649 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: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1557.579536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.579536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.579536 (E_RNA) where: Base-Base interactions energy: -1040.452 where: short stacking energy: -416.185 Base-Backbone interact. energy: -1.204 local terms energy: -515.923421 where: bonds (distance) C4'-P energy: -99.525 bonds (distance) P-C4' energy: -97.104 flat angles C4'-P-C4' energy: -126.180 flat angles P-C4'-P energy: -84.510 tors. eta vs tors. theta energy: -108.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1103.290144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.290144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.290144 (E_RNA) where: Base-Base interactions energy: -664.126 where: short stacking energy: -327.360 Base-Backbone interact. energy: 1.101 local terms energy: -440.265124 where: bonds (distance) C4'-P energy: -99.545 bonds (distance) P-C4' energy: -107.424 flat angles C4'-P-C4' energy: -99.256 flat angles P-C4'-P energy: -66.682 tors. eta vs tors. theta energy: -67.358 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: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1139.800442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.800442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.800442 (E_RNA) where: Base-Base interactions energy: -702.481 where: short stacking energy: -310.797 Base-Backbone interact. energy: -1.655 local terms energy: -435.664575 where: bonds (distance) C4'-P energy: -87.803 bonds (distance) P-C4' energy: -115.670 flat angles C4'-P-C4' energy: -108.267 flat angles P-C4'-P energy: -58.121 tors. eta vs tors. theta energy: -65.803 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: 182 Temperature: 1.350000 Total energy: -1011.410121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.410121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.410121 (E_RNA) where: Base-Base interactions energy: -609.343 where: short stacking energy: -271.947 Base-Backbone interact. energy: -1.435 local terms energy: -400.631874 where: bonds (distance) C4'-P energy: -91.245 bonds (distance) P-C4' energy: -107.823 flat angles C4'-P-C4' energy: -93.896 flat angles P-C4'-P energy: -61.076 tors. eta vs tors. theta energy: -46.591 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: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -2279.102449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.102449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.102449 (E_RNA) where: Base-Base interactions energy: -1588.956 where: short stacking energy: -648.124 Base-Backbone interact. energy: -0.817 local terms energy: -689.329409 where: bonds (distance) C4'-P energy: -131.212 bonds (distance) P-C4' energy: -120.537 flat angles C4'-P-C4' energy: -142.224 flat angles P-C4'-P energy: -101.300 tors. eta vs tors. theta energy: -194.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2180.862264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.862264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.862264 (E_RNA) where: Base-Base interactions energy: -1542.227 where: short stacking energy: -613.435 Base-Backbone interact. energy: -2.286 local terms energy: -636.349108 where: bonds (distance) C4'-P energy: -111.486 bonds (distance) P-C4' energy: -115.606 flat angles C4'-P-C4' energy: -128.062 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -180.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2060.104268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.104268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.104268 (E_RNA) where: Base-Base interactions energy: -1432.004 where: short stacking energy: -573.693 Base-Backbone interact. energy: -2.252 local terms energy: -625.848772 where: bonds (distance) C4'-P energy: -115.346 bonds (distance) P-C4' energy: -123.707 flat angles C4'-P-C4' energy: -135.084 flat angles P-C4'-P energy: -93.016 tors. eta vs tors. theta energy: -158.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1958.151780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.151780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.151780 (E_RNA) where: Base-Base interactions energy: -1353.708 where: short stacking energy: -550.412 Base-Backbone interact. energy: 5.178 local terms energy: -609.621437 where: bonds (distance) C4'-P energy: -122.962 bonds (distance) P-C4' energy: -111.045 flat angles C4'-P-C4' energy: -122.180 flat angles P-C4'-P energy: -86.809 tors. eta vs tors. theta energy: -166.627 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: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1856.796991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.796991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.796991 (E_RNA) where: Base-Base interactions energy: -1244.992 where: short stacking energy: -529.110 Base-Backbone interact. energy: -0.053 local terms energy: -611.751359 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -121.112 flat angles C4'-P-C4' energy: -133.161 flat angles P-C4'-P energy: -87.865 tors. eta vs tors. theta energy: -159.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1751.599086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.599086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.599086 (E_RNA) where: Base-Base interactions energy: -1221.803 where: short stacking energy: -532.144 Base-Backbone interact. energy: -2.035 local terms energy: -527.761080 where: bonds (distance) C4'-P energy: -90.728 bonds (distance) P-C4' energy: -105.516 flat angles C4'-P-C4' energy: -128.799 flat angles P-C4'-P energy: -61.811 tors. eta vs tors. theta energy: -140.907 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: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1547.786668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.786668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.786668 (E_RNA) where: Base-Base interactions energy: -1054.196 where: short stacking energy: -439.413 Base-Backbone interact. energy: 0.735 local terms energy: -494.325003 where: bonds (distance) C4'-P energy: -111.928 bonds (distance) P-C4' energy: -103.793 flat angles C4'-P-C4' energy: -110.648 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -109.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1095.000904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.000904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.000904 (E_RNA) where: Base-Base interactions energy: -666.816 where: short stacking energy: -305.290 Base-Backbone interact. energy: -1.307 local terms energy: -426.877854 where: bonds (distance) C4'-P energy: -96.474 bonds (distance) P-C4' energy: -107.779 flat angles C4'-P-C4' energy: -107.669 flat angles P-C4'-P energy: -57.492 tors. eta vs tors. theta energy: -57.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1108.448301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.448301 (E_RNA) where: Base-Base interactions energy: -720.481 where: short stacking energy: -317.306 Base-Backbone interact. energy: -1.438 local terms energy: -386.529219 where: bonds (distance) C4'-P energy: -84.993 bonds (distance) P-C4' energy: -96.018 flat angles C4'-P-C4' energy: -94.007 flat angles P-C4'-P energy: -54.138 tors. eta vs tors. theta energy: -57.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1014.266188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.266188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.266188 (E_RNA) where: Base-Base interactions energy: -631.812 where: short stacking energy: -276.228 Base-Backbone interact. energy: 4.308 local terms energy: -386.762535 where: bonds (distance) C4'-P energy: -78.113 bonds (distance) P-C4' energy: -107.035 flat angles C4'-P-C4' energy: -84.557 flat angles P-C4'-P energy: -67.283 tors. eta vs tors. theta energy: -49.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -2241.113630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.113630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.113630 (E_RNA) where: Base-Base interactions energy: -1570.207 where: short stacking energy: -652.274 Base-Backbone interact. energy: -3.312 local terms energy: -667.594643 where: bonds (distance) C4'-P energy: -113.108 bonds (distance) P-C4' energy: -113.788 flat angles C4'-P-C4' energy: -141.008 flat angles P-C4'-P energy: -102.328 tors. eta vs tors. theta energy: -197.362 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: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2186.521361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.521361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.521361 (E_RNA) where: Base-Base interactions energy: -1518.976 where: short stacking energy: -606.101 Base-Backbone interact. energy: -3.635 local terms energy: -663.909519 where: bonds (distance) C4'-P energy: -118.286 bonds (distance) P-C4' energy: -132.049 flat angles C4'-P-C4' energy: -132.643 flat angles P-C4'-P energy: -103.159 tors. eta vs tors. theta energy: -177.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2080.922102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.922102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.922102 (E_RNA) where: Base-Base interactions energy: -1463.220 where: short stacking energy: -597.456 Base-Backbone interact. energy: -2.546 local terms energy: -615.156119 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -120.216 flat angles C4'-P-C4' energy: -131.137 flat angles P-C4'-P energy: -100.254 tors. eta vs tors. theta energy: -167.759 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: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2000.618308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.618308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.618308 (E_RNA) where: Base-Base interactions energy: -1401.557 where: short stacking energy: -600.985 Base-Backbone interact. energy: 1.765 local terms energy: -600.826378 where: bonds (distance) C4'-P energy: -108.196 bonds (distance) P-C4' energy: -105.369 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -85.117 tors. eta vs tors. theta energy: -183.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1829.892772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.892772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.892772 (E_RNA) where: Base-Base interactions energy: -1236.949 where: short stacking energy: -518.157 Base-Backbone interact. energy: 1.872 local terms energy: -594.815603 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -120.246 flat angles C4'-P-C4' energy: -124.090 flat angles P-C4'-P energy: -98.330 tors. eta vs tors. theta energy: -150.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1779.395059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.395059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.395059 (E_RNA) where: Base-Base interactions energy: -1234.290 where: short stacking energy: -538.363 Base-Backbone interact. energy: -1.500 local terms energy: -543.604772 where: bonds (distance) C4'-P energy: -103.454 bonds (distance) P-C4' energy: -101.422 flat angles C4'-P-C4' energy: -120.645 flat angles P-C4'-P energy: -66.525 tors. eta vs tors. theta energy: -151.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1596.785049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.785049 (E_RNA) where: Base-Base interactions energy: -1105.485 where: short stacking energy: -460.364 Base-Backbone interact. energy: 2.663 local terms energy: -493.963239 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -108.685 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -66.770 tors. eta vs tors. theta energy: -103.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1097.583734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.583734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.583734 (E_RNA) where: Base-Base interactions energy: -672.940 where: short stacking energy: -307.061 Base-Backbone interact. energy: 1.071 local terms energy: -425.715306 where: bonds (distance) C4'-P energy: -100.590 bonds (distance) P-C4' energy: -102.958 flat angles C4'-P-C4' energy: -105.325 flat angles P-C4'-P energy: -56.790 tors. eta vs tors. theta energy: -60.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1147.294802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.294802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.294802 (E_RNA) where: Base-Base interactions energy: -721.300 where: short stacking energy: -317.734 Base-Backbone interact. energy: -0.427 local terms energy: -425.567904 where: bonds (distance) C4'-P energy: -92.701 bonds (distance) P-C4' energy: -116.083 flat angles C4'-P-C4' energy: -105.332 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -58.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1048.152835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.152835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.152835 (E_RNA) where: Base-Base interactions energy: -663.976 where: short stacking energy: -298.949 Base-Backbone interact. energy: -0.286 local terms energy: -383.890853 where: bonds (distance) C4'-P energy: -80.218 bonds (distance) P-C4' energy: -97.756 flat angles C4'-P-C4' energy: -94.968 flat angles P-C4'-P energy: -72.178 tors. eta vs tors. theta energy: -38.771 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: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -2251.285942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.285942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.285942 (E_RNA) where: Base-Base interactions energy: -1580.374 where: short stacking energy: -647.516 Base-Backbone interact. energy: 1.078 local terms energy: -671.990039 where: bonds (distance) C4'-P energy: -114.146 bonds (distance) P-C4' energy: -124.509 flat angles C4'-P-C4' energy: -145.136 flat angles P-C4'-P energy: -100.467 tors. eta vs tors. theta energy: -187.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2169.776353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.776353 (E_RNA) where: Base-Base interactions energy: -1512.101 where: short stacking energy: -583.659 Base-Backbone interact. energy: -2.647 local terms energy: -655.027994 where: bonds (distance) C4'-P energy: -119.992 bonds (distance) P-C4' energy: -136.047 flat angles C4'-P-C4' energy: -128.339 flat angles P-C4'-P energy: -102.008 tors. eta vs tors. theta energy: -168.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2042.323103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.323103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.323103 (E_RNA) where: Base-Base interactions energy: -1445.342 where: short stacking energy: -586.704 Base-Backbone interact. energy: 2.348 local terms energy: -599.329023 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -118.947 flat angles C4'-P-C4' energy: -119.153 flat angles P-C4'-P energy: -78.080 tors. eta vs tors. theta energy: -165.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1995.630266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.630266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.630266 (E_RNA) where: Base-Base interactions energy: -1378.080 where: short stacking energy: -578.663 Base-Backbone interact. energy: 1.190 local terms energy: -618.740616 where: bonds (distance) C4'-P energy: -113.402 bonds (distance) P-C4' energy: -121.577 flat angles C4'-P-C4' energy: -116.379 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -177.680 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: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1841.828260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.828260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.828260 (E_RNA) where: Base-Base interactions energy: -1268.941 where: short stacking energy: -543.278 Base-Backbone interact. energy: -0.922 local terms energy: -571.964674 where: bonds (distance) C4'-P energy: -103.463 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -125.800 flat angles P-C4'-P energy: -84.495 tors. eta vs tors. theta energy: -154.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1735.900445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.900445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.900445 (E_RNA) where: Base-Base interactions energy: -1162.771 where: short stacking energy: -498.339 Base-Backbone interact. energy: -0.247 local terms energy: -572.882765 where: bonds (distance) C4'-P energy: -92.862 bonds (distance) P-C4' energy: -128.016 flat angles C4'-P-C4' energy: -120.982 flat angles P-C4'-P energy: -92.292 tors. eta vs tors. theta energy: -138.730 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: 185 Temperature: 1.200000 Total energy: -1637.223950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.223950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.223950 (E_RNA) where: Base-Base interactions energy: -1117.051 where: short stacking energy: -493.720 Base-Backbone interact. energy: -1.260 local terms energy: -518.912307 where: bonds (distance) C4'-P energy: -91.313 bonds (distance) P-C4' energy: -115.378 flat angles C4'-P-C4' energy: -109.198 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -126.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1160.703666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.703666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.703666 (E_RNA) where: Base-Base interactions energy: -734.337 where: short stacking energy: -331.692 Base-Backbone interact. energy: 1.677 local terms energy: -428.043408 where: bonds (distance) C4'-P energy: -108.618 bonds (distance) P-C4' energy: -105.882 flat angles C4'-P-C4' energy: -99.621 flat angles P-C4'-P energy: -48.281 tors. eta vs tors. theta energy: -65.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1097.517732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.517732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.517732 (E_RNA) where: Base-Base interactions energy: -665.006 where: short stacking energy: -304.724 Base-Backbone interact. energy: 2.243 local terms energy: -434.754794 where: bonds (distance) C4'-P energy: -102.609 bonds (distance) P-C4' energy: -103.940 flat angles C4'-P-C4' energy: -109.473 flat angles P-C4'-P energy: -49.598 tors. eta vs tors. theta energy: -69.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1039.765294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.765294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.765294 (E_RNA) where: Base-Base interactions energy: -645.713 where: short stacking energy: -294.002 Base-Backbone interact. energy: 3.936 local terms energy: -397.988846 where: bonds (distance) C4'-P energy: -85.609 bonds (distance) P-C4' energy: -91.628 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -67.053 tors. eta vs tors. theta energy: -55.436 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: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -2229.888723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.888723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.888723 (E_RNA) where: Base-Base interactions energy: -1569.675 where: short stacking energy: -635.995 Base-Backbone interact. energy: -2.553 local terms energy: -657.661515 where: bonds (distance) C4'-P energy: -119.688 bonds (distance) P-C4' energy: -121.077 flat angles C4'-P-C4' energy: -141.072 flat angles P-C4'-P energy: -92.990 tors. eta vs tors. theta energy: -182.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2168.859797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.859797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.859797 (E_RNA) where: Base-Base interactions energy: -1502.201 where: short stacking energy: -597.163 Base-Backbone interact. energy: -1.473 local terms energy: -665.185547 where: bonds (distance) C4'-P energy: -126.135 bonds (distance) P-C4' energy: -121.517 flat angles C4'-P-C4' energy: -133.463 flat angles P-C4'-P energy: -95.470 tors. eta vs tors. theta energy: -188.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2031.710524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.710524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.710524 (E_RNA) where: Base-Base interactions energy: -1406.282 where: short stacking energy: -551.812 Base-Backbone interact. energy: 0.592 local terms energy: -626.020473 where: bonds (distance) C4'-P energy: -111.004 bonds (distance) P-C4' energy: -122.938 flat angles C4'-P-C4' energy: -138.175 flat angles P-C4'-P energy: -87.404 tors. eta vs tors. theta energy: -166.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1978.344376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.344376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.344376 (E_RNA) where: Base-Base interactions energy: -1368.211 where: short stacking energy: -572.709 Base-Backbone interact. energy: 1.569 local terms energy: -611.702509 where: bonds (distance) C4'-P energy: -110.181 bonds (distance) P-C4' energy: -112.851 flat angles C4'-P-C4' energy: -140.969 flat angles P-C4'-P energy: -83.784 tors. eta vs tors. theta energy: -163.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1848.230559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.230559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.230559 (E_RNA) where: Base-Base interactions energy: -1279.322 where: short stacking energy: -551.542 Base-Backbone interact. energy: 1.225 local terms energy: -570.133016 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -110.335 flat angles C4'-P-C4' energy: -130.249 flat angles P-C4'-P energy: -72.312 tors. eta vs tors. theta energy: -157.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1741.966602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.966602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.966602 (E_RNA) where: Base-Base interactions energy: -1177.513 where: short stacking energy: -497.697 Base-Backbone interact. energy: -0.873 local terms energy: -563.580731 where: bonds (distance) C4'-P energy: -98.776 bonds (distance) P-C4' energy: -112.585 flat angles C4'-P-C4' energy: -128.288 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -147.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1651.134445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.134445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.134445 (E_RNA) where: Base-Base interactions energy: -1114.818 where: short stacking energy: -481.928 Base-Backbone interact. energy: -3.221 local terms energy: -533.094852 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -107.001 flat angles C4'-P-C4' energy: -122.810 flat angles P-C4'-P energy: -75.206 tors. eta vs tors. theta energy: -134.174 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: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1164.300849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.300849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.300849 (E_RNA) where: Base-Base interactions energy: -714.835 where: short stacking energy: -331.853 Base-Backbone interact. energy: -2.167 local terms energy: -447.298787 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -99.204 flat angles P-C4'-P energy: -65.487 tors. eta vs tors. theta energy: -67.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1097.373457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.373457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.373457 (E_RNA) where: Base-Base interactions energy: -680.842 where: short stacking energy: -319.565 Base-Backbone interact. energy: -0.196 local terms energy: -416.335496 where: bonds (distance) C4'-P energy: -107.505 bonds (distance) P-C4' energy: -90.464 flat angles C4'-P-C4' energy: -89.297 flat angles P-C4'-P energy: -69.281 tors. eta vs tors. theta energy: -59.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1026.878833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.878833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.878833 (E_RNA) where: Base-Base interactions energy: -608.808 where: short stacking energy: -271.761 Base-Backbone interact. energy: 1.964 local terms energy: -420.034738 where: bonds (distance) C4'-P energy: -108.174 bonds (distance) P-C4' energy: -88.085 flat angles C4'-P-C4' energy: -104.128 flat angles P-C4'-P energy: -60.020 tors. eta vs tors. theta energy: -59.627 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: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -2241.303685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.303685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.303685 (E_RNA) where: Base-Base interactions energy: -1553.076 where: short stacking energy: -632.371 Base-Backbone interact. energy: -1.015 local terms energy: -687.213200 where: bonds (distance) C4'-P energy: -129.353 bonds (distance) P-C4' energy: -125.596 flat angles C4'-P-C4' energy: -143.367 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -191.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2154.784132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.784132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.784132 (E_RNA) where: Base-Base interactions energy: -1524.036 where: short stacking energy: -580.099 Base-Backbone interact. energy: -5.560 local terms energy: -625.188691 where: bonds (distance) C4'-P energy: -108.765 bonds (distance) P-C4' energy: -126.912 flat angles C4'-P-C4' energy: -128.054 flat angles P-C4'-P energy: -83.629 tors. eta vs tors. theta energy: -177.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2023.436975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.436975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.436975 (E_RNA) where: Base-Base interactions energy: -1412.101 where: short stacking energy: -554.499 Base-Backbone interact. energy: -1.022 local terms energy: -610.313937 where: bonds (distance) C4'-P energy: -102.767 bonds (distance) P-C4' energy: -122.569 flat angles C4'-P-C4' energy: -136.576 flat angles P-C4'-P energy: -86.932 tors. eta vs tors. theta energy: -161.470 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: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1983.218256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.218256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.218256 (E_RNA) where: Base-Base interactions energy: -1374.459 where: short stacking energy: -586.353 Base-Backbone interact. energy: -4.810 local terms energy: -603.949963 where: bonds (distance) C4'-P energy: -103.632 bonds (distance) P-C4' energy: -113.688 flat angles C4'-P-C4' energy: -128.195 flat angles P-C4'-P energy: -94.786 tors. eta vs tors. theta energy: -163.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1862.598892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.598892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.598892 (E_RNA) where: Base-Base interactions energy: -1270.729 where: short stacking energy: -548.455 Base-Backbone interact. energy: -1.705 local terms energy: -590.165199 where: bonds (distance) C4'-P energy: -112.499 bonds (distance) P-C4' energy: -103.829 flat angles C4'-P-C4' energy: -124.727 flat angles P-C4'-P energy: -90.104 tors. eta vs tors. theta energy: -159.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1755.158668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.158668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.158668 (E_RNA) where: Base-Base interactions energy: -1208.728 where: short stacking energy: -505.204 Base-Backbone interact. energy: -2.031 local terms energy: -544.400305 where: bonds (distance) C4'-P energy: -90.400 bonds (distance) P-C4' energy: -118.221 flat angles C4'-P-C4' energy: -117.245 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -145.549 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: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1624.139274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.139274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.139274 (E_RNA) where: Base-Base interactions energy: -1103.299 where: short stacking energy: -456.182 Base-Backbone interact. energy: 0.523 local terms energy: -521.362994 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -118.619 flat angles C4'-P-C4' energy: -117.568 flat angles P-C4'-P energy: -60.998 tors. eta vs tors. theta energy: -125.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1141.356616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.356616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.356616 (E_RNA) where: Base-Base interactions energy: -702.865 where: short stacking energy: -327.472 Base-Backbone interact. energy: -1.725 local terms energy: -436.766570 where: bonds (distance) C4'-P energy: -117.525 bonds (distance) P-C4' energy: -105.497 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -55.367 tors. eta vs tors. theta energy: -64.858 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: 9, replica: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1124.441083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.441083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.441083 (E_RNA) where: Base-Base interactions energy: -711.412 where: short stacking energy: -324.550 Base-Backbone interact. energy: -4.364 local terms energy: -408.664750 where: bonds (distance) C4'-P energy: -75.475 bonds (distance) P-C4' energy: -105.261 flat angles C4'-P-C4' energy: -101.118 flat angles P-C4'-P energy: -70.292 tors. eta vs tors. theta energy: -56.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1037.504283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.504283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.504283 (E_RNA) where: Base-Base interactions energy: -650.152 where: short stacking energy: -261.657 Base-Backbone interact. energy: 3.648 local terms energy: -391.000103 where: bonds (distance) C4'-P energy: -98.730 bonds (distance) P-C4' energy: -93.023 flat angles C4'-P-C4' energy: -89.499 flat angles P-C4'-P energy: -69.307 tors. eta vs tors. theta energy: -40.442 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: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2251.212851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.212851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.212851 (E_RNA) where: Base-Base interactions energy: -1566.341 where: short stacking energy: -659.031 Base-Backbone interact. energy: -0.415 local terms energy: -684.457272 where: bonds (distance) C4'-P energy: -124.054 bonds (distance) P-C4' energy: -126.385 flat angles C4'-P-C4' energy: -147.061 flat angles P-C4'-P energy: -99.233 tors. eta vs tors. theta energy: -187.723 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: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2178.090254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.090254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.090254 (E_RNA) where: Base-Base interactions energy: -1523.386 where: short stacking energy: -616.293 Base-Backbone interact. energy: -3.757 local terms energy: -650.947574 where: bonds (distance) C4'-P energy: -116.030 bonds (distance) P-C4' energy: -124.634 flat angles C4'-P-C4' energy: -135.586 flat angles P-C4'-P energy: -95.385 tors. eta vs tors. theta energy: -179.312 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: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2062.054370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.054370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.054370 (E_RNA) where: Base-Base interactions energy: -1446.414 where: short stacking energy: -580.272 Base-Backbone interact. energy: -2.723 local terms energy: -612.917450 where: bonds (distance) C4'-P energy: -100.380 bonds (distance) P-C4' energy: -120.484 flat angles C4'-P-C4' energy: -134.002 flat angles P-C4'-P energy: -89.341 tors. eta vs tors. theta energy: -168.710 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: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2017.204039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.204039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.204039 (E_RNA) where: Base-Base interactions energy: -1396.696 where: short stacking energy: -595.898 Base-Backbone interact. energy: -2.024 local terms energy: -618.484045 where: bonds (distance) C4'-P energy: -104.561 bonds (distance) P-C4' energy: -122.370 flat angles C4'-P-C4' energy: -126.500 flat angles P-C4'-P energy: -83.325 tors. eta vs tors. theta energy: -181.729 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: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1887.154466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.154466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.154466 (E_RNA) where: Base-Base interactions energy: -1289.753 where: short stacking energy: -554.725 Base-Backbone interact. energy: -0.911 local terms energy: -596.490729 where: bonds (distance) C4'-P energy: -104.494 bonds (distance) P-C4' energy: -115.539 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -80.769 tors. eta vs tors. theta energy: -163.545 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: 188 Temperature: 1.150000 Total energy: -1761.696839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.696839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.696839 (E_RNA) where: Base-Base interactions energy: -1164.791 where: short stacking energy: -512.946 Base-Backbone interact. energy: -1.018 local terms energy: -595.888010 where: bonds (distance) C4'-P energy: -118.602 bonds (distance) P-C4' energy: -114.785 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -141.791 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: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1643.336984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.336984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.336984 (E_RNA) where: Base-Base interactions energy: -1107.765 where: short stacking energy: -459.213 Base-Backbone interact. energy: -0.141 local terms energy: -535.430229 where: bonds (distance) C4'-P energy: -100.077 bonds (distance) P-C4' energy: -119.202 flat angles C4'-P-C4' energy: -119.677 flat angles P-C4'-P energy: -66.859 tors. eta vs tors. theta energy: -129.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1130.769010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.769010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.769010 (E_RNA) where: Base-Base interactions energy: -694.042 where: short stacking energy: -330.542 Base-Backbone interact. energy: -1.053 local terms energy: -435.674267 where: bonds (distance) C4'-P energy: -99.033 bonds (distance) P-C4' energy: -87.708 flat angles C4'-P-C4' energy: -93.162 flat angles P-C4'-P energy: -80.076 tors. eta vs tors. theta energy: -75.696 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: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1121.092081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.092081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.092081 (E_RNA) where: Base-Base interactions energy: -687.281 where: short stacking energy: -323.789 Base-Backbone interact. energy: 7.505 local terms energy: -441.315816 where: bonds (distance) C4'-P energy: -102.589 bonds (distance) P-C4' energy: -115.375 flat angles C4'-P-C4' energy: -94.439 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -68.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -986.679803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.679803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.679803 (E_RNA) where: Base-Base interactions energy: -577.288 where: short stacking energy: -269.535 Base-Backbone interact. energy: -1.958 local terms energy: -407.433982 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -94.801 flat angles C4'-P-C4' energy: -87.724 flat angles P-C4'-P energy: -63.342 tors. eta vs tors. theta energy: -52.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -2252.161742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.161742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.161742 (E_RNA) where: Base-Base interactions energy: -1572.602 where: short stacking energy: -654.473 Base-Backbone interact. energy: 0.226 local terms energy: -679.785789 where: bonds (distance) C4'-P energy: -112.079 bonds (distance) P-C4' energy: -136.852 flat angles C4'-P-C4' energy: -139.941 flat angles P-C4'-P energy: -97.466 tors. eta vs tors. theta energy: -193.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2130.880417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.880417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.880417 (E_RNA) where: Base-Base interactions energy: -1488.980 where: short stacking energy: -597.794 Base-Backbone interact. energy: -3.417 local terms energy: -638.483443 where: bonds (distance) C4'-P energy: -121.454 bonds (distance) P-C4' energy: -117.558 flat angles C4'-P-C4' energy: -137.313 flat angles P-C4'-P energy: -88.644 tors. eta vs tors. theta energy: -173.515 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: 10 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2136.744811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.744811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.744811 (E_RNA) where: Base-Base interactions energy: -1485.399 where: short stacking energy: -577.971 Base-Backbone interact. energy: -2.516 local terms energy: -648.829679 where: bonds (distance) C4'-P energy: -114.349 bonds (distance) P-C4' energy: -119.935 flat angles C4'-P-C4' energy: -138.141 flat angles P-C4'-P energy: -100.427 tors. eta vs tors. theta energy: -175.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2049.030457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.030457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.030457 (E_RNA) where: Base-Base interactions energy: -1425.003 where: short stacking energy: -592.453 Base-Backbone interact. energy: 1.875 local terms energy: -625.901599 where: bonds (distance) C4'-P energy: -121.655 bonds (distance) P-C4' energy: -115.909 flat angles C4'-P-C4' energy: -125.438 flat angles P-C4'-P energy: -93.196 tors. eta vs tors. theta energy: -169.704 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1888.414785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.414785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.414785 (E_RNA) where: Base-Base interactions energy: -1308.074 where: short stacking energy: -562.383 Base-Backbone interact. energy: -2.075 local terms energy: -578.266126 where: bonds (distance) C4'-P energy: -97.085 bonds (distance) P-C4' energy: -105.235 flat angles C4'-P-C4' energy: -128.691 flat angles P-C4'-P energy: -87.725 tors. eta vs tors. theta energy: -159.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1778.718932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.718932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.718932 (E_RNA) where: Base-Base interactions energy: -1222.216 where: short stacking energy: -513.943 Base-Backbone interact. energy: -1.970 local terms energy: -554.532731 where: bonds (distance) C4'-P energy: -98.416 bonds (distance) P-C4' energy: -119.896 flat angles C4'-P-C4' energy: -104.338 flat angles P-C4'-P energy: -85.929 tors. eta vs tors. theta energy: -145.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1646.715477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.715477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.715477 (E_RNA) where: Base-Base interactions energy: -1094.655 where: short stacking energy: -462.740 Base-Backbone interact. energy: -2.766 local terms energy: -549.294234 where: bonds (distance) C4'-P energy: -115.373 bonds (distance) P-C4' energy: -98.558 flat angles C4'-P-C4' energy: -120.870 flat angles P-C4'-P energy: -85.015 tors. eta vs tors. theta energy: -129.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1165.654313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.654313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.654313 (E_RNA) where: Base-Base interactions energy: -756.141 where: short stacking energy: -334.257 Base-Backbone interact. energy: 6.265 local terms energy: -415.778308 where: bonds (distance) C4'-P energy: -98.220 bonds (distance) P-C4' energy: -104.245 flat angles C4'-P-C4' energy: -91.675 flat angles P-C4'-P energy: -64.475 tors. eta vs tors. theta energy: -57.163 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: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1103.786572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.786572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.786572 (E_RNA) where: Base-Base interactions energy: -684.502 where: short stacking energy: -323.057 Base-Backbone interact. energy: 2.887 local terms energy: -422.170728 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -105.087 flat angles C4'-P-C4' energy: -99.976 flat angles P-C4'-P energy: -71.474 tors. eta vs tors. theta energy: -67.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -912.467778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.467778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.467778 (E_RNA) where: Base-Base interactions energy: -534.801 where: short stacking energy: -256.559 Base-Backbone interact. energy: 5.268 local terms energy: -382.934292 where: bonds (distance) C4'-P energy: -105.937 bonds (distance) P-C4' energy: -87.148 flat angles C4'-P-C4' energy: -102.710 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -28.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -2284.118591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.118591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.118591 (E_RNA) where: Base-Base interactions energy: -1593.568 where: short stacking energy: -669.822 Base-Backbone interact. energy: -2.282 local terms energy: -688.268120 where: bonds (distance) C4'-P energy: -125.995 bonds (distance) P-C4' energy: -119.918 flat angles C4'-P-C4' energy: -134.360 flat angles P-C4'-P energy: -104.234 tors. eta vs tors. theta energy: -203.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2181.870677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.870677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.870677 (E_RNA) where: Base-Base interactions energy: -1518.349 where: short stacking energy: -620.669 Base-Backbone interact. energy: -1.372 local terms energy: -662.149160 where: bonds (distance) C4'-P energy: -125.589 bonds (distance) P-C4' energy: -124.084 flat angles C4'-P-C4' energy: -136.528 flat angles P-C4'-P energy: -91.859 tors. eta vs tors. theta energy: -184.089 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: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2105.355473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.355473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.355473 (E_RNA) where: Base-Base interactions energy: -1483.705 where: short stacking energy: -573.888 Base-Backbone interact. energy: 1.451 local terms energy: -623.101439 where: bonds (distance) C4'-P energy: -115.963 bonds (distance) P-C4' energy: -113.700 flat angles C4'-P-C4' energy: -129.204 flat angles P-C4'-P energy: -88.340 tors. eta vs tors. theta energy: -175.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2033.615517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.615517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.615517 (E_RNA) where: Base-Base interactions energy: -1427.087 where: short stacking energy: -591.002 Base-Backbone interact. energy: 0.042 local terms energy: -606.570293 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -103.212 flat angles C4'-P-C4' energy: -131.960 flat angles P-C4'-P energy: -90.705 tors. eta vs tors. theta energy: -184.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1911.595706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.595706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.595706 (E_RNA) where: Base-Base interactions energy: -1311.029 where: short stacking energy: -575.147 Base-Backbone interact. energy: -0.952 local terms energy: -599.614383 where: bonds (distance) C4'-P energy: -101.211 bonds (distance) P-C4' energy: -102.503 flat angles C4'-P-C4' energy: -123.354 flat angles P-C4'-P energy: -96.351 tors. eta vs tors. theta energy: -176.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1885.608486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.608486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.608486 (E_RNA) where: Base-Base interactions energy: -1299.435 where: short stacking energy: -549.043 Base-Backbone interact. energy: -2.209 local terms energy: -583.964533 where: bonds (distance) C4'-P energy: -124.996 bonds (distance) P-C4' energy: -102.683 flat angles C4'-P-C4' energy: -120.051 flat angles P-C4'-P energy: -71.574 tors. eta vs tors. theta energy: -164.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1630.366236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.366236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.366236 (E_RNA) where: Base-Base interactions energy: -1113.420 where: short stacking energy: -468.847 Base-Backbone interact. energy: 0.307 local terms energy: -517.253217 where: bonds (distance) C4'-P energy: -91.787 bonds (distance) P-C4' energy: -103.691 flat angles C4'-P-C4' energy: -117.209 flat angles P-C4'-P energy: -81.815 tors. eta vs tors. theta energy: -122.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1145.532400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.532400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.532400 (E_RNA) where: Base-Base interactions energy: -710.448 where: short stacking energy: -312.717 Base-Backbone interact. energy: 5.099 local terms energy: -440.183241 where: bonds (distance) C4'-P energy: -106.515 bonds (distance) P-C4' energy: -109.754 flat angles C4'-P-C4' energy: -109.160 flat angles P-C4'-P energy: -56.117 tors. eta vs tors. theta energy: -58.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1137.512285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.512285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.512285 (E_RNA) where: Base-Base interactions energy: -716.995 where: short stacking energy: -315.084 Base-Backbone interact. energy: 0.753 local terms energy: -421.269833 where: bonds (distance) C4'-P energy: -79.097 bonds (distance) P-C4' energy: -109.360 flat angles C4'-P-C4' energy: -103.078 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -69.338 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: 10, replica: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -898.732752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.732752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.732752 (E_RNA) where: Base-Base interactions energy: -528.320 where: short stacking energy: -261.625 Base-Backbone interact. energy: 3.148 local terms energy: -373.560847 where: bonds (distance) C4'-P energy: -86.083 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -94.488 flat angles P-C4'-P energy: -61.398 tors. eta vs tors. theta energy: -35.267 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: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -2284.744871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.744871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.744871 (E_RNA) where: Base-Base interactions energy: -1601.853 where: short stacking energy: -665.700 Base-Backbone interact. energy: 2.944 local terms energy: -685.835478 where: bonds (distance) C4'-P energy: -115.021 bonds (distance) P-C4' energy: -126.352 flat angles C4'-P-C4' energy: -146.191 flat angles P-C4'-P energy: -99.821 tors. eta vs tors. theta energy: -198.450 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: 2, replica: 2 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2130.994959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.994959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.994959 (E_RNA) where: Base-Base interactions energy: -1513.824 where: short stacking energy: -583.433 Base-Backbone interact. energy: -0.670 local terms energy: -616.500947 where: bonds (distance) C4'-P energy: -115.524 bonds (distance) P-C4' energy: -117.902 flat angles C4'-P-C4' energy: -125.594 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -177.737 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: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2111.103554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.103554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.103554 (E_RNA) where: Base-Base interactions energy: -1481.930 where: short stacking energy: -607.803 Base-Backbone interact. energy: -1.317 local terms energy: -627.856689 where: bonds (distance) C4'-P energy: -109.342 bonds (distance) P-C4' energy: -116.497 flat angles C4'-P-C4' energy: -135.451 flat angles P-C4'-P energy: -96.060 tors. eta vs tors. theta energy: -170.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2033.028462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.028462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.028462 (E_RNA) where: Base-Base interactions energy: -1418.949 where: short stacking energy: -599.352 Base-Backbone interact. energy: 1.651 local terms energy: -615.730433 where: bonds (distance) C4'-P energy: -110.045 bonds (distance) P-C4' energy: -99.629 flat angles C4'-P-C4' energy: -136.214 flat angles P-C4'-P energy: -88.812 tors. eta vs tors. theta energy: -181.031 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: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1885.628598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.628598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.628598 (E_RNA) where: Base-Base interactions energy: -1300.503 where: short stacking energy: -529.285 Base-Backbone interact. energy: -1.339 local terms energy: -583.786489 where: bonds (distance) C4'-P energy: -104.954 bonds (distance) P-C4' energy: -107.028 flat angles C4'-P-C4' energy: -121.623 flat angles P-C4'-P energy: -87.135 tors. eta vs tors. theta energy: -163.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1817.179842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.179842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.179842 (E_RNA) where: Base-Base interactions energy: -1243.457 where: short stacking energy: -523.268 Base-Backbone interact. energy: 0.557 local terms energy: -574.280519 where: bonds (distance) C4'-P energy: -88.405 bonds (distance) P-C4' energy: -125.451 flat angles C4'-P-C4' energy: -129.069 flat angles P-C4'-P energy: -84.546 tors. eta vs tors. theta energy: -146.811 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1603.879618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.879618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.879618 (E_RNA) where: Base-Base interactions energy: -1076.025 where: short stacking energy: -445.398 Base-Backbone interact. energy: -0.642 local terms energy: -527.212553 where: bonds (distance) C4'-P energy: -104.086 bonds (distance) P-C4' energy: -102.927 flat angles C4'-P-C4' energy: -117.094 flat angles P-C4'-P energy: -78.722 tors. eta vs tors. theta energy: -124.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1160.028986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.028986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.028986 (E_RNA) where: Base-Base interactions energy: -729.935 where: short stacking energy: -334.368 Base-Backbone interact. energy: -1.536 local terms energy: -428.558289 where: bonds (distance) C4'-P energy: -108.207 bonds (distance) P-C4' energy: -109.738 flat angles C4'-P-C4' energy: -93.527 flat angles P-C4'-P energy: -54.343 tors. eta vs tors. theta energy: -62.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1075.332390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.332390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.332390 (E_RNA) where: Base-Base interactions energy: -647.725 where: short stacking energy: -285.830 Base-Backbone interact. energy: 0.859 local terms energy: -428.466087 where: bonds (distance) C4'-P energy: -93.447 bonds (distance) P-C4' energy: -111.997 flat angles C4'-P-C4' energy: -106.756 flat angles P-C4'-P energy: -69.898 tors. eta vs tors. theta energy: -46.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -883.448075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.448075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.448075 (E_RNA) where: Base-Base interactions energy: -535.584 where: short stacking energy: -254.113 Base-Backbone interact. energy: 1.829 local terms energy: -349.692980 where: bonds (distance) C4'-P energy: -96.102 bonds (distance) P-C4' energy: -114.053 flat angles C4'-P-C4' energy: -73.680 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -13.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -2293.850791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.850791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.850791 (E_RNA) where: Base-Base interactions energy: -1615.777 where: short stacking energy: -668.004 Base-Backbone interact. energy: -1.922 local terms energy: -676.151602 where: bonds (distance) C4'-P energy: -127.367 bonds (distance) P-C4' energy: -115.924 flat angles C4'-P-C4' energy: -148.579 flat angles P-C4'-P energy: -91.959 tors. eta vs tors. theta energy: -192.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2137.958172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.958172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.958172 (E_RNA) where: Base-Base interactions energy: -1492.654 where: short stacking energy: -603.494 Base-Backbone interact. energy: -2.237 local terms energy: -643.067484 where: bonds (distance) C4'-P energy: -130.993 bonds (distance) P-C4' energy: -121.567 flat angles C4'-P-C4' energy: -121.948 flat angles P-C4'-P energy: -95.674 tors. eta vs tors. theta energy: -172.886 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: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2125.132038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.132038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.132038 (E_RNA) where: Base-Base interactions energy: -1515.008 where: short stacking energy: -599.454 Base-Backbone interact. energy: 0.102 local terms energy: -610.226001 where: bonds (distance) C4'-P energy: -106.310 bonds (distance) P-C4' energy: -107.457 flat angles C4'-P-C4' energy: -138.268 flat angles P-C4'-P energy: -80.638 tors. eta vs tors. theta energy: -177.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2048.266327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.266327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.266327 (E_RNA) where: Base-Base interactions energy: -1421.695 where: short stacking energy: -591.888 Base-Backbone interact. energy: -2.958 local terms energy: -623.613842 where: bonds (distance) C4'-P energy: -101.615 bonds (distance) P-C4' energy: -117.057 flat angles C4'-P-C4' energy: -129.153 flat angles P-C4'-P energy: -93.284 tors. eta vs tors. theta energy: -182.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1861.652715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.652715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.652715 (E_RNA) where: Base-Base interactions energy: -1262.693 where: short stacking energy: -525.554 Base-Backbone interact. energy: -2.867 local terms energy: -596.093262 where: bonds (distance) C4'-P energy: -109.491 bonds (distance) P-C4' energy: -108.242 flat angles C4'-P-C4' energy: -120.934 flat angles P-C4'-P energy: -91.016 tors. eta vs tors. theta energy: -166.410 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: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1896.228991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.228991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.228991 (E_RNA) where: Base-Base interactions energy: -1294.464 where: short stacking energy: -543.722 Base-Backbone interact. energy: -1.967 local terms energy: -599.798465 where: bonds (distance) C4'-P energy: -110.590 bonds (distance) P-C4' energy: -112.986 flat angles C4'-P-C4' energy: -128.258 flat angles P-C4'-P energy: -89.182 tors. eta vs tors. theta energy: -158.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1655.061243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.061243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.061243 (E_RNA) where: Base-Base interactions energy: -1101.262 where: short stacking energy: -493.967 Base-Backbone interact. energy: -2.329 local terms energy: -551.470258 where: bonds (distance) C4'-P energy: -111.944 bonds (distance) P-C4' energy: -112.413 flat angles C4'-P-C4' energy: -109.156 flat angles P-C4'-P energy: -88.020 tors. eta vs tors. theta energy: -129.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1132.515978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.515978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.515978 (E_RNA) where: Base-Base interactions energy: -694.434 where: short stacking energy: -292.423 Base-Backbone interact. energy: -2.550 local terms energy: -435.531228 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -104.928 flat angles C4'-P-C4' energy: -112.171 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -50.880 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: 9, replica: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1079.134750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.134750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.134750 (E_RNA) where: Base-Base interactions energy: -676.561 where: short stacking energy: -294.590 Base-Backbone interact. energy: -0.507 local terms energy: -402.067585 where: bonds (distance) C4'-P energy: -98.170 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -100.560 flat angles P-C4'-P energy: -61.939 tors. eta vs tors. theta energy: -51.444 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: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -835.796594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.796594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.796594 (E_RNA) where: Base-Base interactions energy: -466.699 where: short stacking energy: -246.730 Base-Backbone interact. energy: 0.243 local terms energy: -369.340592 where: bonds (distance) C4'-P energy: -94.775 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -99.849 flat angles P-C4'-P energy: -63.079 tors. eta vs tors. theta energy: -23.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -2281.336359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.336359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.336359 (E_RNA) where: Base-Base interactions energy: -1595.909 where: short stacking energy: -656.819 Base-Backbone interact. energy: -0.787 local terms energy: -684.640949 where: bonds (distance) C4'-P energy: -118.447 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -140.262 flat angles P-C4'-P energy: -100.304 tors. eta vs tors. theta energy: -199.840 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: 2 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2128.273863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.273863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.273863 (E_RNA) where: Base-Base interactions energy: -1471.635 where: short stacking energy: -576.165 Base-Backbone interact. energy: -1.998 local terms energy: -654.640250 where: bonds (distance) C4'-P energy: -132.429 bonds (distance) P-C4' energy: -134.734 flat angles C4'-P-C4' energy: -126.289 flat angles P-C4'-P energy: -88.142 tors. eta vs tors. theta energy: -173.046 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: 3, replica: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2102.265888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.265888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.265888 (E_RNA) where: Base-Base interactions energy: -1475.248 where: short stacking energy: -620.703 Base-Backbone interact. energy: -2.145 local terms energy: -624.872855 where: bonds (distance) C4'-P energy: -116.502 bonds (distance) P-C4' energy: -103.887 flat angles C4'-P-C4' energy: -134.008 flat angles P-C4'-P energy: -92.323 tors. eta vs tors. theta energy: -178.154 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: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2079.127356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.127356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.127356 (E_RNA) where: Base-Base interactions energy: -1452.419 where: short stacking energy: -617.708 Base-Backbone interact. energy: -2.563 local terms energy: -624.144995 where: bonds (distance) C4'-P energy: -103.230 bonds (distance) P-C4' energy: -124.233 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -83.171 tors. eta vs tors. theta energy: -184.932 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: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1861.009719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.009719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.009719 (E_RNA) where: Base-Base interactions energy: -1288.241 where: short stacking energy: -524.255 Base-Backbone interact. energy: -1.022 local terms energy: -571.747392 where: bonds (distance) C4'-P energy: -114.297 bonds (distance) P-C4' energy: -108.348 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -84.028 tors. eta vs tors. theta energy: -153.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1862.175130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.175130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.175130 (E_RNA) where: Base-Base interactions energy: -1271.853 where: short stacking energy: -539.704 Base-Backbone interact. energy: 1.265 local terms energy: -591.587092 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -127.498 flat angles C4'-P-C4' energy: -112.099 flat angles P-C4'-P energy: -81.037 tors. eta vs tors. theta energy: -165.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1586.402233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.402233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.402233 (E_RNA) where: Base-Base interactions energy: -1069.780 where: short stacking energy: -429.140 Base-Backbone interact. energy: 3.391 local terms energy: -520.012731 where: bonds (distance) C4'-P energy: -102.390 bonds (distance) P-C4' energy: -99.340 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -63.940 tors. eta vs tors. theta energy: -123.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1193.320227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.320227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.320227 (E_RNA) where: Base-Base interactions energy: -736.215 where: short stacking energy: -364.887 Base-Backbone interact. energy: -1.114 local terms energy: -455.991692 where: bonds (distance) C4'-P energy: -106.660 bonds (distance) P-C4' energy: -82.357 flat angles C4'-P-C4' energy: -120.724 flat angles P-C4'-P energy: -68.750 tors. eta vs tors. theta energy: -77.501 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: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1117.041944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.041944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.041944 (E_RNA) where: Base-Base interactions energy: -673.569 where: short stacking energy: -312.732 Base-Backbone interact. energy: 2.711 local terms energy: -446.183302 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -106.450 flat angles C4'-P-C4' energy: -113.743 flat angles P-C4'-P energy: -64.295 tors. eta vs tors. theta energy: -67.246 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: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -880.587385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.587385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.587385 (E_RNA) where: Base-Base interactions energy: -537.148 where: short stacking energy: -238.135 Base-Backbone interact. energy: 3.023 local terms energy: -346.462643 where: bonds (distance) C4'-P energy: -83.181 bonds (distance) P-C4' energy: -97.389 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -57.951 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2268.652862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.652862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.652862 (E_RNA) where: Base-Base interactions energy: -1571.078 where: short stacking energy: -641.308 Base-Backbone interact. energy: 2.917 local terms energy: -700.491657 where: bonds (distance) C4'-P energy: -132.236 bonds (distance) P-C4' energy: -124.510 flat angles C4'-P-C4' energy: -150.841 flat angles P-C4'-P energy: -104.453 tors. eta vs tors. theta energy: -188.451 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: 2, replica: 2 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2129.926191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.926191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.926191 (E_RNA) where: Base-Base interactions energy: -1492.998 where: short stacking energy: -599.560 Base-Backbone interact. energy: -2.470 local terms energy: -634.458863 where: bonds (distance) C4'-P energy: -115.943 bonds (distance) P-C4' energy: -122.831 flat angles C4'-P-C4' energy: -132.776 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -170.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2085.820888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.820888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.820888 (E_RNA) where: Base-Base interactions energy: -1464.708 where: short stacking energy: -571.800 Base-Backbone interact. energy: -3.940 local terms energy: -617.172175 where: bonds (distance) C4'-P energy: -115.744 bonds (distance) P-C4' energy: -114.338 flat angles C4'-P-C4' energy: -118.706 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -177.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2012.987747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.987747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.987747 (E_RNA) where: Base-Base interactions energy: -1395.752 where: short stacking energy: -578.249 Base-Backbone interact. energy: -1.179 local terms energy: -616.056893 where: bonds (distance) C4'-P energy: -101.317 bonds (distance) P-C4' energy: -121.928 flat angles C4'-P-C4' energy: -139.730 flat angles P-C4'-P energy: -77.889 tors. eta vs tors. theta energy: -175.193 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: 5, replica: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1905.636679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.636679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.636679 (E_RNA) where: Base-Base interactions energy: -1305.178 where: short stacking energy: -571.636 Base-Backbone interact. energy: 1.528 local terms energy: -601.986772 where: bonds (distance) C4'-P energy: -103.128 bonds (distance) P-C4' energy: -108.033 flat angles C4'-P-C4' energy: -129.875 flat angles P-C4'-P energy: -88.658 tors. eta vs tors. theta energy: -172.292 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: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1773.331075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.331075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.331075 (E_RNA) where: Base-Base interactions energy: -1189.404 where: short stacking energy: -468.547 Base-Backbone interact. energy: -1.875 local terms energy: -582.051929 where: bonds (distance) C4'-P energy: -109.074 bonds (distance) P-C4' energy: -117.016 flat angles C4'-P-C4' energy: -130.019 flat angles P-C4'-P energy: -91.170 tors. eta vs tors. theta energy: -134.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1605.433141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.433141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.433141 (E_RNA) where: Base-Base interactions energy: -1088.139 where: short stacking energy: -457.915 Base-Backbone interact. energy: 3.876 local terms energy: -521.170342 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -109.994 flat angles P-C4'-P energy: -57.289 tors. eta vs tors. theta energy: -134.684 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: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1157.677390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.677390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.677390 (E_RNA) where: Base-Base interactions energy: -685.021 where: short stacking energy: -308.187 Base-Backbone interact. energy: -0.478 local terms energy: -472.179264 where: bonds (distance) C4'-P energy: -93.573 bonds (distance) P-C4' energy: -121.858 flat angles C4'-P-C4' energy: -114.535 flat angles P-C4'-P energy: -68.970 tors. eta vs tors. theta energy: -73.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1156.230515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.230515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.230515 (E_RNA) where: Base-Base interactions energy: -706.231 where: short stacking energy: -317.767 Base-Backbone interact. energy: -2.178 local terms energy: -447.821207 where: bonds (distance) C4'-P energy: -94.536 bonds (distance) P-C4' energy: -103.048 flat angles C4'-P-C4' energy: -109.640 flat angles P-C4'-P energy: -69.556 tors. eta vs tors. theta energy: -71.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -992.947557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.947557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.947557 (E_RNA) where: Base-Base interactions energy: -587.136 where: short stacking energy: -247.093 Base-Backbone interact. energy: -2.215 local terms energy: -403.596480 where: bonds (distance) C4'-P energy: -88.002 bonds (distance) P-C4' energy: -101.914 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -78.912 tors. eta vs tors. theta energy: -36.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -2273.981354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.981354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.981354 (E_RNA) where: Base-Base interactions energy: -1588.764 where: short stacking energy: -646.900 Base-Backbone interact. energy: -0.422 local terms energy: -684.795495 where: bonds (distance) C4'-P energy: -112.368 bonds (distance) P-C4' energy: -133.507 flat angles C4'-P-C4' energy: -142.839 flat angles P-C4'-P energy: -90.194 tors. eta vs tors. theta energy: -205.887 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: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2142.154330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.154330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.154330 (E_RNA) where: Base-Base interactions energy: -1502.114 where: short stacking energy: -614.401 Base-Backbone interact. energy: -4.882 local terms energy: -635.158082 where: bonds (distance) C4'-P energy: -105.433 bonds (distance) P-C4' energy: -121.220 flat angles C4'-P-C4' energy: -136.194 flat angles P-C4'-P energy: -99.539 tors. eta vs tors. theta energy: -172.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2061.274804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.274804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.274804 (E_RNA) where: Base-Base interactions energy: -1446.697 where: short stacking energy: -566.760 Base-Backbone interact. energy: -3.314 local terms energy: -611.264607 where: bonds (distance) C4'-P energy: -112.789 bonds (distance) P-C4' energy: -113.144 flat angles C4'-P-C4' energy: -132.974 flat angles P-C4'-P energy: -88.805 tors. eta vs tors. theta energy: -163.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2046.150420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.150420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.150420 (E_RNA) where: Base-Base interactions energy: -1419.793 where: short stacking energy: -566.975 Base-Backbone interact. energy: -3.362 local terms energy: -622.995098 where: bonds (distance) C4'-P energy: -111.201 bonds (distance) P-C4' energy: -119.051 flat angles C4'-P-C4' energy: -132.378 flat angles P-C4'-P energy: -86.218 tors. eta vs tors. theta energy: -174.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1928.211106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.211106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.211106 (E_RNA) where: Base-Base interactions energy: -1322.604 where: short stacking energy: -557.295 Base-Backbone interact. energy: -1.122 local terms energy: -604.485382 where: bonds (distance) C4'-P energy: -109.096 bonds (distance) P-C4' energy: -111.023 flat angles C4'-P-C4' energy: -128.964 flat angles P-C4'-P energy: -97.186 tors. eta vs tors. theta energy: -158.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1780.337716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.337716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.337716 (E_RNA) where: Base-Base interactions energy: -1208.668 where: short stacking energy: -496.836 Base-Backbone interact. energy: -1.616 local terms energy: -570.052956 where: bonds (distance) C4'-P energy: -120.545 bonds (distance) P-C4' energy: -102.883 flat angles C4'-P-C4' energy: -114.790 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: -162.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1554.435002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.435002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.435002 (E_RNA) where: Base-Base interactions energy: -1023.382 where: short stacking energy: -440.446 Base-Backbone interact. energy: 1.318 local terms energy: -532.371579 where: bonds (distance) C4'-P energy: -93.459 bonds (distance) P-C4' energy: -100.857 flat angles C4'-P-C4' energy: -123.413 flat angles P-C4'-P energy: -81.248 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: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1195.839680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.839680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.839680 (E_RNA) where: Base-Base interactions energy: -780.030 where: short stacking energy: -360.429 Base-Backbone interact. energy: 4.883 local terms energy: -420.693321 where: bonds (distance) C4'-P energy: -86.177 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -111.690 flat angles P-C4'-P energy: -69.616 tors. eta vs tors. theta energy: -65.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1137.464824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.464824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.464824 (E_RNA) where: Base-Base interactions energy: -694.067 where: short stacking energy: -321.840 Base-Backbone interact. energy: 2.587 local terms energy: -445.984156 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -111.678 flat angles C4'-P-C4' energy: -98.033 flat angles P-C4'-P energy: -67.124 tors. eta vs tors. theta energy: -73.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1093.288697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.288697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.288697 (E_RNA) where: Base-Base interactions energy: -693.055 where: short stacking energy: -307.005 Base-Backbone interact. energy: -1.249 local terms energy: -398.984849 where: bonds (distance) C4'-P energy: -103.325 bonds (distance) P-C4' energy: -79.624 flat angles C4'-P-C4' energy: -89.523 flat angles P-C4'-P energy: -69.037 tors. eta vs tors. theta energy: -57.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -2275.801571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.801571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.801571 (E_RNA) where: Base-Base interactions energy: -1590.534 where: short stacking energy: -660.781 Base-Backbone interact. energy: -0.720 local terms energy: -684.547801 where: bonds (distance) C4'-P energy: -114.420 bonds (distance) P-C4' energy: -128.035 flat angles C4'-P-C4' energy: -141.903 flat angles P-C4'-P energy: -99.476 tors. eta vs tors. theta energy: -200.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2172.476170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.476170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.476170 (E_RNA) where: Base-Base interactions energy: -1507.741 where: short stacking energy: -621.037 Base-Backbone interact. energy: -6.120 local terms energy: -658.614826 where: bonds (distance) C4'-P energy: -121.379 bonds (distance) P-C4' energy: -125.321 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -90.485 tors. eta vs tors. theta energy: -181.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2075.647320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.647320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.647320 (E_RNA) where: Base-Base interactions energy: -1438.219 where: short stacking energy: -593.422 Base-Backbone interact. energy: -2.687 local terms energy: -634.741357 where: bonds (distance) C4'-P energy: -113.546 bonds (distance) P-C4' energy: -113.564 flat angles C4'-P-C4' energy: -140.289 flat angles P-C4'-P energy: -89.150 tors. eta vs tors. theta energy: -178.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1976.994687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.994687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.994687 (E_RNA) where: Base-Base interactions energy: -1386.237 where: short stacking energy: -551.897 Base-Backbone interact. energy: -1.337 local terms energy: -589.420091 where: bonds (distance) C4'-P energy: -124.255 bonds (distance) P-C4' energy: -97.583 flat angles C4'-P-C4' energy: -112.496 flat angles P-C4'-P energy: -94.292 tors. eta vs tors. theta energy: -160.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1922.268175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.268175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.268175 (E_RNA) where: Base-Base interactions energy: -1343.779 where: short stacking energy: -577.897 Base-Backbone interact. energy: -1.106 local terms energy: -577.383929 where: bonds (distance) C4'-P energy: -105.482 bonds (distance) P-C4' energy: -90.677 flat angles C4'-P-C4' energy: -133.900 flat angles P-C4'-P energy: -88.783 tors. eta vs tors. theta energy: -158.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1725.845059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.845059 (E_RNA) where: Base-Base interactions energy: -1190.587 where: short stacking energy: -473.097 Base-Backbone interact. energy: -1.821 local terms energy: -533.437248 where: bonds (distance) C4'-P energy: -103.136 bonds (distance) P-C4' energy: -99.214 flat angles C4'-P-C4' energy: -115.625 flat angles P-C4'-P energy: -87.403 tors. eta vs tors. theta energy: -128.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1557.017264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.017264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.017264 (E_RNA) where: Base-Base interactions energy: -1039.334 where: short stacking energy: -434.918 Base-Backbone interact. energy: -2.761 local terms energy: -514.922904 where: bonds (distance) C4'-P energy: -91.902 bonds (distance) P-C4' energy: -113.349 flat angles C4'-P-C4' energy: -124.459 flat angles P-C4'-P energy: -65.293 tors. eta vs tors. theta energy: -119.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1197.240113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.240113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.240113 (E_RNA) where: Base-Base interactions energy: -739.507 where: short stacking energy: -354.250 Base-Backbone interact. energy: -3.371 local terms energy: -454.361778 where: bonds (distance) C4'-P energy: -107.619 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -68.053 tors. eta vs tors. theta energy: -68.883 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: 9, replica: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1099.399465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.399465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.399465 (E_RNA) where: Base-Base interactions energy: -671.062 where: short stacking energy: -311.327 Base-Backbone interact. energy: -1.603 local terms energy: -426.734300 where: bonds (distance) C4'-P energy: -91.987 bonds (distance) P-C4' energy: -102.535 flat angles C4'-P-C4' energy: -106.654 flat angles P-C4'-P energy: -63.758 tors. eta vs tors. theta energy: -61.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1065.355998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.355998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.355998 (E_RNA) where: Base-Base interactions energy: -644.934 where: short stacking energy: -288.115 Base-Backbone interact. energy: -0.482 local terms energy: -419.940053 where: bonds (distance) C4'-P energy: -109.360 bonds (distance) P-C4' energy: -100.710 flat angles C4'-P-C4' energy: -106.019 flat angles P-C4'-P energy: -57.103 tors. eta vs tors. theta energy: -46.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -2288.361010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.361010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.361010 (E_RNA) where: Base-Base interactions energy: -1588.496 where: short stacking energy: -660.668 Base-Backbone interact. energy: 0.641 local terms energy: -700.506709 where: bonds (distance) C4'-P energy: -134.756 bonds (distance) P-C4' energy: -117.857 flat angles C4'-P-C4' energy: -156.031 flat angles P-C4'-P energy: -97.593 tors. eta vs tors. theta energy: -194.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2163.103668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.103668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.103668 (E_RNA) where: Base-Base interactions energy: -1536.831 where: short stacking energy: -620.609 Base-Backbone interact. energy: -0.855 local terms energy: -625.417511 where: bonds (distance) C4'-P energy: -109.330 bonds (distance) P-C4' energy: -111.644 flat angles C4'-P-C4' energy: -139.230 flat angles P-C4'-P energy: -91.017 tors. eta vs tors. theta energy: -174.198 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: 8 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2078.172974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.172974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.172974 (E_RNA) where: Base-Base interactions energy: -1423.748 where: short stacking energy: -589.582 Base-Backbone interact. energy: 1.964 local terms energy: -656.389004 where: bonds (distance) C4'-P energy: -121.902 bonds (distance) P-C4' energy: -127.312 flat angles C4'-P-C4' energy: -138.837 flat angles P-C4'-P energy: -89.558 tors. eta vs tors. theta energy: -178.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1999.796061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.796061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.796061 (E_RNA) where: Base-Base interactions energy: -1407.419 where: short stacking energy: -567.247 Base-Backbone interact. energy: -4.074 local terms energy: -588.302870 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -113.763 flat angles C4'-P-C4' energy: -128.377 flat angles P-C4'-P energy: -82.954 tors. eta vs tors. theta energy: -162.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1929.414610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.414610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.414610 (E_RNA) where: Base-Base interactions energy: -1339.314 where: short stacking energy: -576.955 Base-Backbone interact. energy: -0.865 local terms energy: -589.236037 where: bonds (distance) C4'-P energy: -110.091 bonds (distance) P-C4' energy: -112.888 flat angles C4'-P-C4' energy: -121.566 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -161.577 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: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1747.554679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.554679 (E_RNA) where: Base-Base interactions energy: -1210.456 where: short stacking energy: -483.838 Base-Backbone interact. energy: 4.000 local terms energy: -541.098398 where: bonds (distance) C4'-P energy: -101.192 bonds (distance) P-C4' energy: -108.827 flat angles C4'-P-C4' energy: -113.422 flat angles P-C4'-P energy: -80.967 tors. eta vs tors. theta energy: -136.691 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: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1620.660718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.660718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.660718 (E_RNA) where: Base-Base interactions energy: -1088.221 where: short stacking energy: -467.673 Base-Backbone interact. energy: -0.863 local terms energy: -531.576965 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -103.126 flat angles C4'-P-C4' energy: -119.946 flat angles P-C4'-P energy: -87.146 tors. eta vs tors. theta energy: -121.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1135.410214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.410214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.410214 (E_RNA) where: Base-Base interactions energy: -713.639 where: short stacking energy: -323.840 Base-Backbone interact. energy: -1.397 local terms energy: -420.374063 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -96.471 flat angles C4'-P-C4' energy: -107.225 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -51.550 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: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1175.045353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.045353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.045353 (E_RNA) where: Base-Base interactions energy: -733.462 where: short stacking energy: -342.152 Base-Backbone interact. energy: -1.657 local terms energy: -439.926448 where: bonds (distance) C4'-P energy: -90.961 bonds (distance) P-C4' energy: -110.765 flat angles C4'-P-C4' energy: -107.196 flat angles P-C4'-P energy: -69.778 tors. eta vs tors. theta energy: -61.227 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: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1083.068043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.068043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.068043 (E_RNA) where: Base-Base interactions energy: -673.314 where: short stacking energy: -290.984 Base-Backbone interact. energy: 3.112 local terms energy: -412.865406 where: bonds (distance) C4'-P energy: -83.634 bonds (distance) P-C4' energy: -113.867 flat angles C4'-P-C4' energy: -109.340 flat angles P-C4'-P energy: -54.682 tors. eta vs tors. theta energy: -51.342 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: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2286.297643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.297643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.297643 (E_RNA) where: Base-Base interactions energy: -1596.558 where: short stacking energy: -643.069 Base-Backbone interact. energy: 1.400 local terms energy: -691.139062 where: bonds (distance) C4'-P energy: -121.245 bonds (distance) P-C4' energy: -124.452 flat angles C4'-P-C4' energy: -141.898 flat angles P-C4'-P energy: -112.048 tors. eta vs tors. theta energy: -191.496 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: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2172.159980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.159980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.159980 (E_RNA) where: Base-Base interactions energy: -1504.283 where: short stacking energy: -606.933 Base-Backbone interact. energy: -2.383 local terms energy: -665.494079 where: bonds (distance) C4'-P energy: -113.706 bonds (distance) P-C4' energy: -119.754 flat angles C4'-P-C4' energy: -139.379 flat angles P-C4'-P energy: -99.002 tors. eta vs tors. theta energy: -193.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2052.338413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.338413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.338413 (E_RNA) where: Base-Base interactions energy: -1408.962 where: short stacking energy: -565.493 Base-Backbone interact. energy: -1.021 local terms energy: -642.354647 where: bonds (distance) C4'-P energy: -114.491 bonds (distance) P-C4' energy: -137.413 flat angles C4'-P-C4' energy: -133.817 flat angles P-C4'-P energy: -101.455 tors. eta vs tors. theta energy: -155.179 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: 2 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2003.681335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.681335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.681335 (E_RNA) where: Base-Base interactions energy: -1387.807 where: short stacking energy: -567.471 Base-Backbone interact. energy: -2.691 local terms energy: -613.183854 where: bonds (distance) C4'-P energy: -108.634 bonds (distance) P-C4' energy: -118.715 flat angles C4'-P-C4' energy: -137.170 flat angles P-C4'-P energy: -84.406 tors. eta vs tors. theta energy: -164.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1936.021760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.021760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.021760 (E_RNA) where: Base-Base interactions energy: -1339.905 where: short stacking energy: -556.400 Base-Backbone interact. energy: -1.381 local terms energy: -594.735679 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -105.544 flat angles C4'-P-C4' energy: -127.430 flat angles P-C4'-P energy: -75.319 tors. eta vs tors. theta energy: -165.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1783.761983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.761983 (E_RNA) where: Base-Base interactions energy: -1221.910 where: short stacking energy: -517.543 Base-Backbone interact. energy: -1.989 local terms energy: -559.862795 where: bonds (distance) C4'-P energy: -85.535 bonds (distance) P-C4' energy: -117.232 flat angles C4'-P-C4' energy: -123.542 flat angles P-C4'-P energy: -83.698 tors. eta vs tors. theta energy: -149.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1646.803476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.803476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.803476 (E_RNA) where: Base-Base interactions energy: -1096.181 where: short stacking energy: -455.176 Base-Backbone interact. energy: -1.272 local terms energy: -549.350739 where: bonds (distance) C4'-P energy: -122.556 bonds (distance) P-C4' energy: -100.964 flat angles C4'-P-C4' energy: -122.445 flat angles P-C4'-P energy: -80.257 tors. eta vs tors. theta energy: -123.129 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: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1117.659482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.659482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.659482 (E_RNA) where: Base-Base interactions energy: -701.539 where: short stacking energy: -310.967 Base-Backbone interact. energy: -0.574 local terms energy: -415.545934 where: bonds (distance) C4'-P energy: -107.476 bonds (distance) P-C4' energy: -81.986 flat angles C4'-P-C4' energy: -111.048 flat angles P-C4'-P energy: -65.934 tors. eta vs tors. theta energy: -49.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1173.427888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.427888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.427888 (E_RNA) where: Base-Base interactions energy: -723.411 where: short stacking energy: -328.985 Base-Backbone interact. energy: 2.586 local terms energy: -452.603357 where: bonds (distance) C4'-P energy: -103.602 bonds (distance) P-C4' energy: -113.354 flat angles C4'-P-C4' energy: -104.919 flat angles P-C4'-P energy: -61.208 tors. eta vs tors. theta energy: -69.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1093.323098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.323098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.323098 (E_RNA) where: Base-Base interactions energy: -688.591 where: short stacking energy: -296.032 Base-Backbone interact. energy: -1.506 local terms energy: -403.226420 where: bonds (distance) C4'-P energy: -96.632 bonds (distance) P-C4' energy: -99.292 flat angles C4'-P-C4' energy: -96.850 flat angles P-C4'-P energy: -61.942 tors. eta vs tors. theta energy: -48.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -2268.216951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.216951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.216951 (E_RNA) where: Base-Base interactions energy: -1574.428 where: short stacking energy: -645.852 Base-Backbone interact. energy: 0.158 local terms energy: -693.946840 where: bonds (distance) C4'-P energy: -124.121 bonds (distance) P-C4' energy: -113.205 flat angles C4'-P-C4' energy: -152.053 flat angles P-C4'-P energy: -102.794 tors. eta vs tors. theta energy: -201.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2178.402232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.402232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.402232 (E_RNA) where: Base-Base interactions energy: -1519.886 where: short stacking energy: -628.389 Base-Backbone interact. energy: -1.875 local terms energy: -656.641210 where: bonds (distance) C4'-P energy: -117.353 bonds (distance) P-C4' energy: -117.926 flat angles C4'-P-C4' energy: -138.529 flat angles P-C4'-P energy: -95.293 tors. eta vs tors. theta energy: -187.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2090.513383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.513383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.513383 (E_RNA) where: Base-Base interactions energy: -1468.267 where: short stacking energy: -594.817 Base-Backbone interact. energy: 2.155 local terms energy: -624.400560 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -111.607 flat angles C4'-P-C4' energy: -137.616 flat angles P-C4'-P energy: -90.642 tors. eta vs tors. theta energy: -176.312 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: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2008.755442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.755442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.755442 (E_RNA) where: Base-Base interactions energy: -1416.837 where: short stacking energy: -564.985 Base-Backbone interact. energy: -0.706 local terms energy: -591.212425 where: bonds (distance) C4'-P energy: -104.292 bonds (distance) P-C4' energy: -115.098 flat angles C4'-P-C4' energy: -131.597 flat angles P-C4'-P energy: -71.930 tors. eta vs tors. theta energy: -168.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1948.146417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.146417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.146417 (E_RNA) where: Base-Base interactions energy: -1329.945 where: short stacking energy: -580.302 Base-Backbone interact. energy: -1.989 local terms energy: -616.212241 where: bonds (distance) C4'-P energy: -110.931 bonds (distance) P-C4' energy: -116.333 flat angles C4'-P-C4' energy: -130.667 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -182.475 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: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1800.916042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.916042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.916042 (E_RNA) where: Base-Base interactions energy: -1230.639 where: short stacking energy: -525.772 Base-Backbone interact. energy: -2.155 local terms energy: -568.121930 where: bonds (distance) C4'-P energy: -105.625 bonds (distance) P-C4' energy: -106.009 flat angles C4'-P-C4' energy: -127.716 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -152.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1607.345589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.345589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.345589 (E_RNA) where: Base-Base interactions energy: -1089.085 where: short stacking energy: -435.931 Base-Backbone interact. energy: -2.089 local terms energy: -516.172010 where: bonds (distance) C4'-P energy: -106.298 bonds (distance) P-C4' energy: -109.738 flat angles C4'-P-C4' energy: -120.154 flat angles P-C4'-P energy: -75.821 tors. eta vs tors. theta energy: -104.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1288.685422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.685422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.685422 (E_RNA) where: Base-Base interactions energy: -824.121 where: short stacking energy: -373.956 Base-Backbone interact. energy: -2.070 local terms energy: -462.494101 where: bonds (distance) C4'-P energy: -107.672 bonds (distance) P-C4' energy: -107.026 flat angles C4'-P-C4' energy: -103.120 flat angles P-C4'-P energy: -60.233 tors. eta vs tors. theta energy: -84.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1095.734237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.734237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.734237 (E_RNA) where: Base-Base interactions energy: -685.269 where: short stacking energy: -332.058 Base-Backbone interact. energy: -3.932 local terms energy: -406.532955 where: bonds (distance) C4'-P energy: -80.144 bonds (distance) P-C4' energy: -91.017 flat angles C4'-P-C4' energy: -103.086 flat angles P-C4'-P energy: -64.444 tors. eta vs tors. theta energy: -67.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1112.800843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.800843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.800843 (E_RNA) where: Base-Base interactions energy: -709.083 where: short stacking energy: -311.101 Base-Backbone interact. energy: -1.214 local terms energy: -402.503921 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -92.222 flat angles C4'-P-C4' energy: -102.298 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -65.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -2271.395529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.395529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.395529 (E_RNA) where: Base-Base interactions energy: -1571.842 where: short stacking energy: -647.539 Base-Backbone interact. energy: -1.375 local terms energy: -698.178211 where: bonds (distance) C4'-P energy: -121.209 bonds (distance) P-C4' energy: -127.393 flat angles C4'-P-C4' energy: -140.475 flat angles P-C4'-P energy: -112.061 tors. eta vs tors. theta energy: -197.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2171.683046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.683046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.683046 (E_RNA) where: Base-Base interactions energy: -1518.007 where: short stacking energy: -612.057 Base-Backbone interact. energy: -2.273 local terms energy: -651.403016 where: bonds (distance) C4'-P energy: -106.962 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -148.580 flat angles P-C4'-P energy: -100.178 tors. eta vs tors. theta energy: -192.109 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: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2072.875668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.875668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.875668 (E_RNA) where: Base-Base interactions energy: -1445.810 where: short stacking energy: -582.508 Base-Backbone interact. energy: -1.112 local terms energy: -625.953526 where: bonds (distance) C4'-P energy: -119.762 bonds (distance) P-C4' energy: -121.966 flat angles C4'-P-C4' energy: -143.139 flat angles P-C4'-P energy: -72.272 tors. eta vs tors. theta energy: -168.815 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: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2075.621968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.621968 (E_RNA) where: Base-Base interactions energy: -1448.561 where: short stacking energy: -580.898 Base-Backbone interact. energy: -2.599 local terms energy: -624.461202 where: bonds (distance) C4'-P energy: -104.966 bonds (distance) P-C4' energy: -128.059 flat angles C4'-P-C4' energy: -131.564 flat angles P-C4'-P energy: -90.892 tors. eta vs tors. theta energy: -168.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1927.273519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.273519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.273519 (E_RNA) where: Base-Base interactions energy: -1316.688 where: short stacking energy: -530.878 Base-Backbone interact. energy: 1.130 local terms energy: -611.715668 where: bonds (distance) C4'-P energy: -110.844 bonds (distance) P-C4' energy: -113.385 flat angles C4'-P-C4' energy: -129.985 flat angles P-C4'-P energy: -90.906 tors. eta vs tors. theta energy: -166.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1793.423363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.423363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.423363 (E_RNA) where: Base-Base interactions energy: -1218.440 where: short stacking energy: -520.378 Base-Backbone interact. energy: -2.089 local terms energy: -572.894772 where: bonds (distance) C4'-P energy: -117.014 bonds (distance) P-C4' energy: -95.716 flat angles C4'-P-C4' energy: -129.819 flat angles P-C4'-P energy: -71.132 tors. eta vs tors. theta energy: -159.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1638.548667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.548667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.548667 (E_RNA) where: Base-Base interactions energy: -1091.078 where: short stacking energy: -449.842 Base-Backbone interact. energy: -0.947 local terms energy: -546.523318 where: bonds (distance) C4'-P energy: -112.560 bonds (distance) P-C4' energy: -108.554 flat angles C4'-P-C4' energy: -119.006 flat angles P-C4'-P energy: -81.972 tors. eta vs tors. theta energy: -124.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1237.267964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.267964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.267964 (E_RNA) where: Base-Base interactions energy: -787.484 where: short stacking energy: -367.807 Base-Backbone interact. energy: 0.104 local terms energy: -449.887414 where: bonds (distance) C4'-P energy: -102.164 bonds (distance) P-C4' energy: -93.304 flat angles C4'-P-C4' energy: -114.600 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -73.117 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: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1216.021556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.021556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.021556 (E_RNA) where: Base-Base interactions energy: -758.898 where: short stacking energy: -334.141 Base-Backbone interact. energy: 4.796 local terms energy: -461.918911 where: bonds (distance) C4'-P energy: -104.790 bonds (distance) P-C4' energy: -120.443 flat angles C4'-P-C4' energy: -96.949 flat angles P-C4'-P energy: -77.864 tors. eta vs tors. theta energy: -61.874 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: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1043.936182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.936182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.936182 (E_RNA) where: Base-Base interactions energy: -679.419 where: short stacking energy: -308.106 Base-Backbone interact. energy: -1.910 local terms energy: -362.607623 where: bonds (distance) C4'-P energy: -63.469 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -55.838 tors. eta vs tors. theta energy: -54.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -2279.315452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.315452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.315452 (E_RNA) where: Base-Base interactions energy: -1597.860 where: short stacking energy: -670.821 Base-Backbone interact. energy: -1.109 local terms energy: -680.346360 where: bonds (distance) C4'-P energy: -126.137 bonds (distance) P-C4' energy: -125.465 flat angles C4'-P-C4' energy: -146.113 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -196.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2167.034592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.034592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.034592 (E_RNA) where: Base-Base interactions energy: -1509.909 where: short stacking energy: -624.241 Base-Backbone interact. energy: 0.851 local terms energy: -657.977470 where: bonds (distance) C4'-P energy: -121.749 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -131.875 flat angles P-C4'-P energy: -99.860 tors. eta vs tors. theta energy: -188.631 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: 2 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2080.898243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.898243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.898243 (E_RNA) where: Base-Base interactions energy: -1457.857 where: short stacking energy: -594.491 Base-Backbone interact. energy: 0.258 local terms energy: -623.299602 where: bonds (distance) C4'-P energy: -125.086 bonds (distance) P-C4' energy: -124.324 flat angles C4'-P-C4' energy: -134.177 flat angles P-C4'-P energy: -73.723 tors. eta vs tors. theta energy: -165.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2035.099848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.099848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.099848 (E_RNA) where: Base-Base interactions energy: -1421.024 where: short stacking energy: -586.958 Base-Backbone interact. energy: -1.554 local terms energy: -612.521909 where: bonds (distance) C4'-P energy: -99.011 bonds (distance) P-C4' energy: -110.596 flat angles C4'-P-C4' energy: -130.606 flat angles P-C4'-P energy: -82.643 tors. eta vs tors. theta energy: -189.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1932.095902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.095902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.095902 (E_RNA) where: Base-Base interactions energy: -1339.419 where: short stacking energy: -552.338 Base-Backbone interact. energy: 0.167 local terms energy: -592.844424 where: bonds (distance) C4'-P energy: -112.890 bonds (distance) P-C4' energy: -107.188 flat angles C4'-P-C4' energy: -120.476 flat angles P-C4'-P energy: -83.447 tors. eta vs tors. theta energy: -168.844 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: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1780.238882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.238882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.238882 (E_RNA) where: Base-Base interactions energy: -1200.078 where: short stacking energy: -518.990 Base-Backbone interact. energy: 0.739 local terms energy: -580.899958 where: bonds (distance) C4'-P energy: -96.978 bonds (distance) P-C4' energy: -122.687 flat angles C4'-P-C4' energy: -127.596 flat angles P-C4'-P energy: -84.697 tors. eta vs tors. theta energy: -148.941 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: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1619.854890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.854890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.854890 (E_RNA) where: Base-Base interactions energy: -1091.691 where: short stacking energy: -473.985 Base-Backbone interact. energy: -1.609 local terms energy: -526.555137 where: bonds (distance) C4'-P energy: -115.539 bonds (distance) P-C4' energy: -104.140 flat angles C4'-P-C4' energy: -120.611 flat angles P-C4'-P energy: -69.887 tors. eta vs tors. theta energy: -116.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1198.704382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.704382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.704382 (E_RNA) where: Base-Base interactions energy: -767.802 where: short stacking energy: -341.118 Base-Backbone interact. energy: 1.925 local terms energy: -432.827157 where: bonds (distance) C4'-P energy: -95.466 bonds (distance) P-C4' energy: -110.295 flat angles C4'-P-C4' energy: -86.514 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -65.361 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: 9, replica: 4 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1186.006256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.006256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.006256 (E_RNA) where: Base-Base interactions energy: -739.689 where: short stacking energy: -315.117 Base-Backbone interact. energy: 6.085 local terms energy: -452.402102 where: bonds (distance) C4'-P energy: -101.632 bonds (distance) P-C4' energy: -104.134 flat angles C4'-P-C4' energy: -101.173 flat angles P-C4'-P energy: -71.537 tors. eta vs tors. theta energy: -73.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1045.245329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.245329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.245329 (E_RNA) where: Base-Base interactions energy: -645.428 where: short stacking energy: -290.756 Base-Backbone interact. energy: -0.770 local terms energy: -399.047209 where: bonds (distance) C4'-P energy: -90.045 bonds (distance) P-C4' energy: -98.959 flat angles C4'-P-C4' energy: -93.864 flat angles P-C4'-P energy: -69.126 tors. eta vs tors. theta energy: -47.054 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: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -2262.968854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.968854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.968854 (E_RNA) where: Base-Base interactions energy: -1563.108 where: short stacking energy: -640.693 Base-Backbone interact. energy: -1.594 local terms energy: -698.267364 where: bonds (distance) C4'-P energy: -119.680 bonds (distance) P-C4' energy: -127.086 flat angles C4'-P-C4' energy: -143.507 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -203.040 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: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2166.326320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.326320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.326320 (E_RNA) where: Base-Base interactions energy: -1514.627 where: short stacking energy: -602.963 Base-Backbone interact. energy: 7.864 local terms energy: -659.563320 where: bonds (distance) C4'-P energy: -129.088 bonds (distance) P-C4' energy: -114.482 flat angles C4'-P-C4' energy: -124.341 flat angles P-C4'-P energy: -106.122 tors. eta vs tors. theta energy: -185.530 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: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2128.461825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.461825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.461825 (E_RNA) where: Base-Base interactions energy: -1508.166 where: short stacking energy: -601.599 Base-Backbone interact. energy: -0.640 local terms energy: -619.656353 where: bonds (distance) C4'-P energy: -128.977 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -129.859 flat angles P-C4'-P energy: -85.850 tors. eta vs tors. theta energy: -170.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2000.415856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.415856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.415856 (E_RNA) where: Base-Base interactions energy: -1397.662 where: short stacking energy: -574.611 Base-Backbone interact. energy: -0.486 local terms energy: -602.268148 where: bonds (distance) C4'-P energy: -112.781 bonds (distance) P-C4' energy: -99.750 flat angles C4'-P-C4' energy: -126.312 flat angles P-C4'-P energy: -94.197 tors. eta vs tors. theta energy: -169.228 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: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1973.720394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.720394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.720394 (E_RNA) where: Base-Base interactions energy: -1362.811 where: short stacking energy: -583.297 Base-Backbone interact. energy: -2.246 local terms energy: -608.663956 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -102.166 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -75.518 tors. eta vs tors. theta energy: -178.673 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: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1718.580031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.580031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.580031 (E_RNA) where: Base-Base interactions energy: -1161.787 where: short stacking energy: -489.655 Base-Backbone interact. energy: 1.543 local terms energy: -558.336394 where: bonds (distance) C4'-P energy: -105.902 bonds (distance) P-C4' energy: -113.013 flat angles C4'-P-C4' energy: -108.870 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -140.461 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: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1633.045224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.045224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.045224 (E_RNA) where: Base-Base interactions energy: -1102.714 where: short stacking energy: -454.217 Base-Backbone interact. energy: -0.721 local terms energy: -529.609835 where: bonds (distance) C4'-P energy: -105.927 bonds (distance) P-C4' energy: -105.637 flat angles C4'-P-C4' energy: -117.043 flat angles P-C4'-P energy: -82.489 tors. eta vs tors. theta energy: -118.515 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: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1248.993236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.993236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.993236 (E_RNA) where: Base-Base interactions energy: -784.770 where: short stacking energy: -348.341 Base-Backbone interact. energy: 0.150 local terms energy: -464.373322 where: bonds (distance) C4'-P energy: -105.285 bonds (distance) P-C4' energy: -105.433 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -67.872 tors. eta vs tors. theta energy: -69.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1157.106321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.106321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.106321 (E_RNA) where: Base-Base interactions energy: -724.183 where: short stacking energy: -308.218 Base-Backbone interact. energy: -1.357 local terms energy: -431.566687 where: bonds (distance) C4'-P energy: -103.947 bonds (distance) P-C4' energy: -89.946 flat angles C4'-P-C4' energy: -119.970 flat angles P-C4'-P energy: -61.203 tors. eta vs tors. theta energy: -56.500 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: 202 Temperature: 1.350000 Total energy: -1060.514979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.514979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.514979 (E_RNA) where: Base-Base interactions energy: -659.231 where: short stacking energy: -291.713 Base-Backbone interact. energy: 1.231 local terms energy: -402.515370 where: bonds (distance) C4'-P energy: -83.952 bonds (distance) P-C4' energy: -96.066 flat angles C4'-P-C4' energy: -119.180 flat angles P-C4'-P energy: -59.560 tors. eta vs tors. theta energy: -43.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2276.573361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.573361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.573361 (E_RNA) where: Base-Base interactions energy: -1574.179 where: short stacking energy: -642.766 Base-Backbone interact. energy: -0.969 local terms energy: -701.425105 where: bonds (distance) C4'-P energy: -122.936 bonds (distance) P-C4' energy: -137.996 flat angles C4'-P-C4' energy: -142.568 flat angles P-C4'-P energy: -97.685 tors. eta vs tors. theta energy: -200.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2173.381009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.381009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.381009 (E_RNA) where: Base-Base interactions energy: -1541.398 where: short stacking energy: -642.656 Base-Backbone interact. energy: -1.618 local terms energy: -630.364938 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -106.065 flat angles C4'-P-C4' energy: -126.369 flat angles P-C4'-P energy: -102.895 tors. eta vs tors. theta energy: -198.153 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: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2060.555846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.555846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.555846 (E_RNA) where: Base-Base interactions energy: -1462.292 where: short stacking energy: -573.462 Base-Backbone interact. energy: -0.595 local terms energy: -597.669329 where: bonds (distance) C4'-P energy: -118.357 bonds (distance) P-C4' energy: -93.881 flat angles C4'-P-C4' energy: -135.039 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -167.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1980.250420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.250420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.250420 (E_RNA) where: Base-Base interactions energy: -1382.974 where: short stacking energy: -566.511 Base-Backbone interact. energy: 2.933 local terms energy: -600.209681 where: bonds (distance) C4'-P energy: -103.577 bonds (distance) P-C4' energy: -110.608 flat angles C4'-P-C4' energy: -129.012 flat angles P-C4'-P energy: -86.904 tors. eta vs tors. theta energy: -170.108 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: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1928.839122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.839122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.839122 (E_RNA) where: Base-Base interactions energy: -1326.864 where: short stacking energy: -541.913 Base-Backbone interact. energy: 0.250 local terms energy: -602.225323 where: bonds (distance) C4'-P energy: -102.803 bonds (distance) P-C4' energy: -113.362 flat angles C4'-P-C4' energy: -124.705 flat angles P-C4'-P energy: -95.671 tors. eta vs tors. theta energy: -165.684 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: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1663.478265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.478265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.478265 (E_RNA) where: Base-Base interactions energy: -1141.212 where: short stacking energy: -492.095 Base-Backbone interact. energy: -0.570 local terms energy: -521.696425 where: bonds (distance) C4'-P energy: -89.468 bonds (distance) P-C4' energy: -110.137 flat angles C4'-P-C4' energy: -117.807 flat angles P-C4'-P energy: -70.767 tors. eta vs tors. theta energy: -133.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1679.770949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.770949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.770949 (E_RNA) where: Base-Base interactions energy: -1147.186 where: short stacking energy: -497.960 Base-Backbone interact. energy: -0.665 local terms energy: -531.920184 where: bonds (distance) C4'-P energy: -110.047 bonds (distance) P-C4' energy: -92.663 flat angles C4'-P-C4' energy: -125.459 flat angles P-C4'-P energy: -67.303 tors. eta vs tors. theta energy: -136.449 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: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1248.310691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.310691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.310691 (E_RNA) where: Base-Base interactions energy: -782.143 where: short stacking energy: -338.677 Base-Backbone interact. energy: -0.583 local terms energy: -465.585561 where: bonds (distance) C4'-P energy: -102.240 bonds (distance) P-C4' energy: -106.400 flat angles C4'-P-C4' energy: -107.295 flat angles P-C4'-P energy: -71.892 tors. eta vs tors. theta energy: -77.759 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: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1180.774190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.774190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.774190 (E_RNA) where: Base-Base interactions energy: -759.672 where: short stacking energy: -342.655 Base-Backbone interact. energy: -2.244 local terms energy: -418.858077 where: bonds (distance) C4'-P energy: -78.921 bonds (distance) P-C4' energy: -116.591 flat angles C4'-P-C4' energy: -96.012 flat angles P-C4'-P energy: -59.492 tors. eta vs tors. theta energy: -67.843 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: 203 Temperature: 1.350000 Total energy: -1038.941854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.941854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.941854 (E_RNA) where: Base-Base interactions energy: -644.848 where: short stacking energy: -304.374 Base-Backbone interact. energy: 2.526 local terms energy: -396.619863 where: bonds (distance) C4'-P energy: -100.282 bonds (distance) P-C4' energy: -89.475 flat angles C4'-P-C4' energy: -96.023 flat angles P-C4'-P energy: -69.225 tors. eta vs tors. theta energy: -41.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -2281.724293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.724293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.724293 (E_RNA) where: Base-Base interactions energy: -1600.796 where: short stacking energy: -664.571 Base-Backbone interact. energy: 0.768 local terms energy: -681.696159 where: bonds (distance) C4'-P energy: -114.266 bonds (distance) P-C4' energy: -123.326 flat angles C4'-P-C4' energy: -144.490 flat angles P-C4'-P energy: -96.478 tors. eta vs tors. theta energy: -203.136 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: 10 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2216.081255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.081255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.081255 (E_RNA) where: Base-Base interactions energy: -1560.112 where: short stacking energy: -619.281 Base-Backbone interact. energy: -1.299 local terms energy: -654.670795 where: bonds (distance) C4'-P energy: -112.166 bonds (distance) P-C4' energy: -126.216 flat angles C4'-P-C4' energy: -134.967 flat angles P-C4'-P energy: -94.013 tors. eta vs tors. theta energy: -187.310 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: 2 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2089.307759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.307759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.307759 (E_RNA) where: Base-Base interactions energy: -1489.455 where: short stacking energy: -579.900 Base-Backbone interact. energy: -4.060 local terms energy: -595.792448 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -102.787 flat angles C4'-P-C4' energy: -128.299 flat angles P-C4'-P energy: -85.823 tors. eta vs tors. theta energy: -167.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1996.473714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.473714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.473714 (E_RNA) where: Base-Base interactions energy: -1401.173 where: short stacking energy: -569.120 Base-Backbone interact. energy: -3.443 local terms energy: -591.858180 where: bonds (distance) C4'-P energy: -102.012 bonds (distance) P-C4' energy: -106.727 flat angles C4'-P-C4' energy: -129.848 flat angles P-C4'-P energy: -86.785 tors. eta vs tors. theta energy: -166.487 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: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1964.534879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.534879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.534879 (E_RNA) where: Base-Base interactions energy: -1358.429 where: short stacking energy: -565.411 Base-Backbone interact. energy: -0.214 local terms energy: -605.891811 where: bonds (distance) C4'-P energy: -122.050 bonds (distance) P-C4' energy: -106.558 flat angles C4'-P-C4' energy: -122.382 flat angles P-C4'-P energy: -92.748 tors. eta vs tors. theta energy: -162.153 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: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1660.237736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.237736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.237736 (E_RNA) where: Base-Base interactions energy: -1107.946 where: short stacking energy: -500.975 Base-Backbone interact. energy: 8.508 local terms energy: -560.799941 where: bonds (distance) C4'-P energy: -108.822 bonds (distance) P-C4' energy: -121.684 flat angles C4'-P-C4' energy: -118.495 flat angles P-C4'-P energy: -78.198 tors. eta vs tors. theta energy: -133.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1680.912665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.912665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.912665 (E_RNA) where: Base-Base interactions energy: -1125.333 where: short stacking energy: -494.014 Base-Backbone interact. energy: -0.460 local terms energy: -555.120066 where: bonds (distance) C4'-P energy: -101.865 bonds (distance) P-C4' energy: -103.330 flat angles C4'-P-C4' energy: -124.580 flat angles P-C4'-P energy: -73.531 tors. eta vs tors. theta energy: -151.815 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: 8, replica: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1231.983449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.983449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.983449 (E_RNA) where: Base-Base interactions energy: -767.112 where: short stacking energy: -337.161 Base-Backbone interact. energy: -0.301 local terms energy: -464.571396 where: bonds (distance) C4'-P energy: -103.153 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -115.953 flat angles P-C4'-P energy: -69.900 tors. eta vs tors. theta energy: -70.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1179.765406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.765406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.765406 (E_RNA) where: Base-Base interactions energy: -749.355 where: short stacking energy: -336.326 Base-Backbone interact. energy: 0.446 local terms energy: -430.856239 where: bonds (distance) C4'-P energy: -79.415 bonds (distance) P-C4' energy: -103.995 flat angles C4'-P-C4' energy: -118.351 flat angles P-C4'-P energy: -58.993 tors. eta vs tors. theta energy: -70.102 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: 204 Temperature: 1.350000 Total energy: -1025.815345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.815345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.815345 (E_RNA) where: Base-Base interactions energy: -612.954 where: short stacking energy: -267.270 Base-Backbone interact. energy: -2.406 local terms energy: -410.456123 where: bonds (distance) C4'-P energy: -85.407 bonds (distance) P-C4' energy: -127.897 flat angles C4'-P-C4' energy: -91.401 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -43.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -2272.688395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.688395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.688395 (E_RNA) where: Base-Base interactions energy: -1574.074 where: short stacking energy: -670.013 Base-Backbone interact. energy: -1.578 local terms energy: -697.037100 where: bonds (distance) C4'-P energy: -114.058 bonds (distance) P-C4' energy: -133.379 flat angles C4'-P-C4' energy: -148.393 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -206.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2169.585619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.585619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.585619 (E_RNA) where: Base-Base interactions energy: -1507.992 where: short stacking energy: -617.782 Base-Backbone interact. energy: -5.234 local terms energy: -656.360192 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -116.832 flat angles C4'-P-C4' energy: -135.156 flat angles P-C4'-P energy: -96.225 tors. eta vs tors. theta energy: -189.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2103.753754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.753754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.753754 (E_RNA) where: Base-Base interactions energy: -1480.080 where: short stacking energy: -584.438 Base-Backbone interact. energy: -1.998 local terms energy: -621.676410 where: bonds (distance) C4'-P energy: -112.758 bonds (distance) P-C4' energy: -104.259 flat angles C4'-P-C4' energy: -136.484 flat angles P-C4'-P energy: -87.748 tors. eta vs tors. theta energy: -180.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1999.049235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.049235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.049235 (E_RNA) where: Base-Base interactions energy: -1380.786 where: short stacking energy: -568.062 Base-Backbone interact. energy: -1.191 local terms energy: -617.072288 where: bonds (distance) C4'-P energy: -115.618 bonds (distance) P-C4' energy: -111.945 flat angles C4'-P-C4' energy: -133.346 flat angles P-C4'-P energy: -95.137 tors. eta vs tors. theta energy: -161.027 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: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1966.297610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.297610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.297610 (E_RNA) where: Base-Base interactions energy: -1354.719 where: short stacking energy: -582.427 Base-Backbone interact. energy: -1.436 local terms energy: -610.142962 where: bonds (distance) C4'-P energy: -106.214 bonds (distance) P-C4' energy: -113.976 flat angles C4'-P-C4' energy: -125.250 flat angles P-C4'-P energy: -87.504 tors. eta vs tors. theta energy: -177.199 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: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1652.774284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.774284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.774284 (E_RNA) where: Base-Base interactions energy: -1110.524 where: short stacking energy: -480.185 Base-Backbone interact. energy: 0.514 local terms energy: -542.764402 where: bonds (distance) C4'-P energy: -102.274 bonds (distance) P-C4' energy: -105.628 flat angles C4'-P-C4' energy: -124.844 flat angles P-C4'-P energy: -84.032 tors. eta vs tors. theta energy: -125.986 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: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1581.998264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.998264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.998264 (E_RNA) where: Base-Base interactions energy: -1028.736 where: short stacking energy: -430.479 Base-Backbone interact. energy: -2.155 local terms energy: -551.106779 where: bonds (distance) C4'-P energy: -116.412 bonds (distance) P-C4' energy: -114.044 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -126.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1271.510585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.510585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.510585 (E_RNA) where: Base-Base interactions energy: -782.102 where: short stacking energy: -353.960 Base-Backbone interact. energy: -0.975 local terms energy: -488.433441 where: bonds (distance) C4'-P energy: -109.789 bonds (distance) P-C4' energy: -119.665 flat angles C4'-P-C4' energy: -109.735 flat angles P-C4'-P energy: -69.191 tors. eta vs tors. theta energy: -80.054 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: 9, replica: 4 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1191.895736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.895736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.895736 (E_RNA) where: Base-Base interactions energy: -751.359 where: short stacking energy: -331.019 Base-Backbone interact. energy: -0.282 local terms energy: -440.254923 where: bonds (distance) C4'-P energy: -108.353 bonds (distance) P-C4' energy: -122.564 flat angles C4'-P-C4' energy: -106.305 flat angles P-C4'-P energy: -43.232 tors. eta vs tors. theta energy: -59.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1077.190726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.190726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.190726 (E_RNA) where: Base-Base interactions energy: -664.857 where: short stacking energy: -303.603 Base-Backbone interact. energy: 1.517 local terms energy: -413.850444 where: bonds (distance) C4'-P energy: -95.543 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -100.981 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -45.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -2294.493092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.493092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.493092 (E_RNA) where: Base-Base interactions energy: -1585.664 where: short stacking energy: -648.351 Base-Backbone interact. energy: -0.965 local terms energy: -707.864668 where: bonds (distance) C4'-P energy: -134.234 bonds (distance) P-C4' energy: -124.880 flat angles C4'-P-C4' energy: -141.547 flat angles P-C4'-P energy: -114.610 tors. eta vs tors. theta energy: -192.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2178.821139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.821139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.821139 (E_RNA) where: Base-Base interactions energy: -1513.352 where: short stacking energy: -621.382 Base-Backbone interact. energy: -2.611 local terms energy: -662.857832 where: bonds (distance) C4'-P energy: -124.279 bonds (distance) P-C4' energy: -106.972 flat angles C4'-P-C4' energy: -138.477 flat angles P-C4'-P energy: -94.820 tors. eta vs tors. theta energy: -198.310 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: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2101.018870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.018870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.018870 (E_RNA) where: Base-Base interactions energy: -1494.425 where: short stacking energy: -570.235 Base-Backbone interact. energy: 0.563 local terms energy: -607.156974 where: bonds (distance) C4'-P energy: -119.598 bonds (distance) P-C4' energy: -123.051 flat angles C4'-P-C4' energy: -114.125 flat angles P-C4'-P energy: -89.591 tors. eta vs tors. theta energy: -160.792 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: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1991.936497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.936497 (E_RNA) where: Base-Base interactions energy: -1366.268 where: short stacking energy: -543.209 Base-Backbone interact. energy: -0.423 local terms energy: -625.246062 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -126.349 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -97.909 tors. eta vs tors. theta energy: -160.948 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: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1916.450890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.450890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.450890 (E_RNA) where: Base-Base interactions energy: -1349.754 where: short stacking energy: -568.666 Base-Backbone interact. energy: -2.058 local terms energy: -564.639185 where: bonds (distance) C4'-P energy: -122.787 bonds (distance) P-C4' energy: -96.821 flat angles C4'-P-C4' energy: -127.789 flat angles P-C4'-P energy: -73.330 tors. eta vs tors. theta energy: -143.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1632.720121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.720121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.720121 (E_RNA) where: Base-Base interactions energy: -1081.299 where: short stacking energy: -483.163 Base-Backbone interact. energy: -0.638 local terms energy: -550.783831 where: bonds (distance) C4'-P energy: -90.856 bonds (distance) P-C4' energy: -121.831 flat angles C4'-P-C4' energy: -120.128 flat angles P-C4'-P energy: -83.966 tors. eta vs tors. theta energy: -134.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1608.164826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.164826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.164826 (E_RNA) where: Base-Base interactions energy: -1069.201 where: short stacking energy: -447.246 Base-Backbone interact. energy: -1.760 local terms energy: -537.204469 where: bonds (distance) C4'-P energy: -104.981 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -121.010 flat angles P-C4'-P energy: -64.545 tors. eta vs tors. theta energy: -134.921 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: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1254.077038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.077038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.077038 (E_RNA) where: Base-Base interactions energy: -804.430 where: short stacking energy: -355.506 Base-Backbone interact. energy: -2.148 local terms energy: -447.499074 where: bonds (distance) C4'-P energy: -106.978 bonds (distance) P-C4' energy: -113.478 flat angles C4'-P-C4' energy: -97.810 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -83.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1220.887227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.887227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.887227 (E_RNA) where: Base-Base interactions energy: -767.024 where: short stacking energy: -339.846 Base-Backbone interact. energy: -0.540 local terms energy: -453.323594 where: bonds (distance) C4'-P energy: -117.202 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -119.689 flat angles P-C4'-P energy: -60.238 tors. eta vs tors. theta energy: -69.432 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: 206 Temperature: 1.350000 Total energy: -1066.108320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.108320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.108320 (E_RNA) where: Base-Base interactions energy: -629.770 where: short stacking energy: -295.055 Base-Backbone interact. energy: -1.265 local terms energy: -435.072645 where: bonds (distance) C4'-P energy: -95.146 bonds (distance) P-C4' energy: -118.928 flat angles C4'-P-C4' energy: -102.406 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: -49.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -2270.924474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.924474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.924474 (E_RNA) where: Base-Base interactions energy: -1581.659 where: short stacking energy: -632.389 Base-Backbone interact. energy: -2.723 local terms energy: -686.542935 where: bonds (distance) C4'-P energy: -140.723 bonds (distance) P-C4' energy: -122.153 flat angles C4'-P-C4' energy: -141.254 flat angles P-C4'-P energy: -81.975 tors. eta vs tors. theta energy: -200.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2197.692942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.692942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.692942 (E_RNA) where: Base-Base interactions energy: -1526.171 where: short stacking energy: -612.047 Base-Backbone interact. energy: -1.728 local terms energy: -669.793848 where: bonds (distance) C4'-P energy: -127.370 bonds (distance) P-C4' energy: -125.426 flat angles C4'-P-C4' energy: -125.810 flat angles P-C4'-P energy: -99.165 tors. eta vs tors. theta energy: -192.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2087.465366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.465366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.465366 (E_RNA) where: Base-Base interactions energy: -1482.216 where: short stacking energy: -571.963 Base-Backbone interact. energy: -0.967 local terms energy: -604.282195 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -119.794 flat angles C4'-P-C4' energy: -127.753 flat angles P-C4'-P energy: -71.066 tors. eta vs tors. theta energy: -166.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1988.183308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.183308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.183308 (E_RNA) where: Base-Base interactions energy: -1362.655 where: short stacking energy: -578.019 Base-Backbone interact. energy: -3.948 local terms energy: -621.580301 where: bonds (distance) C4'-P energy: -110.003 bonds (distance) P-C4' energy: -120.942 flat angles C4'-P-C4' energy: -132.832 flat angles P-C4'-P energy: -95.636 tors. eta vs tors. theta energy: -162.168 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: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1918.343503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.343503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.343503 (E_RNA) where: Base-Base interactions energy: -1307.366 where: short stacking energy: -567.863 Base-Backbone interact. energy: -2.451 local terms energy: -608.526664 where: bonds (distance) C4'-P energy: -118.323 bonds (distance) P-C4' energy: -120.598 flat angles C4'-P-C4' energy: -129.504 flat angles P-C4'-P energy: -79.965 tors. eta vs tors. theta energy: -160.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1724.500956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.500956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.500956 (E_RNA) where: Base-Base interactions energy: -1168.285 where: short stacking energy: -501.993 Base-Backbone interact. energy: -1.168 local terms energy: -555.048618 where: bonds (distance) C4'-P energy: -103.599 bonds (distance) P-C4' energy: -98.301 flat angles C4'-P-C4' energy: -120.814 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -149.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1571.491057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.491057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.491057 (E_RNA) where: Base-Base interactions energy: -1069.216 where: short stacking energy: -477.544 Base-Backbone interact. energy: -0.197 local terms energy: -502.078499 where: bonds (distance) C4'-P energy: -95.828 bonds (distance) P-C4' energy: -107.383 flat angles C4'-P-C4' energy: -105.393 flat angles P-C4'-P energy: -71.026 tors. eta vs tors. theta energy: -122.449 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1263.025181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.025181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.025181 (E_RNA) where: Base-Base interactions energy: -819.398 where: short stacking energy: -380.329 Base-Backbone interact. energy: 0.427 local terms energy: -444.054776 where: bonds (distance) C4'-P energy: -100.547 bonds (distance) P-C4' energy: -92.444 flat angles C4'-P-C4' energy: -100.415 flat angles P-C4'-P energy: -57.599 tors. eta vs tors. theta energy: -93.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1206.735992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.735992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.735992 (E_RNA) where: Base-Base interactions energy: -755.996 where: short stacking energy: -360.485 Base-Backbone interact. energy: -0.920 local terms energy: -449.820292 where: bonds (distance) C4'-P energy: -89.380 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -112.834 flat angles P-C4'-P energy: -63.038 tors. eta vs tors. theta energy: -83.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1053.525416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.525416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.525416 (E_RNA) where: Base-Base interactions energy: -641.145 where: short stacking energy: -287.399 Base-Backbone interact. energy: -0.211 local terms energy: -412.168965 where: bonds (distance) C4'-P energy: -101.093 bonds (distance) P-C4' energy: -104.156 flat angles C4'-P-C4' energy: -95.578 flat angles P-C4'-P energy: -54.831 tors. eta vs tors. theta energy: -56.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -2277.027602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.027602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.027602 (E_RNA) where: Base-Base interactions energy: -1585.150 where: short stacking energy: -655.535 Base-Backbone interact. energy: -0.378 local terms energy: -691.499975 where: bonds (distance) C4'-P energy: -116.332 bonds (distance) P-C4' energy: -123.506 flat angles C4'-P-C4' energy: -150.799 flat angles P-C4'-P energy: -101.327 tors. eta vs tors. theta energy: -199.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2201.919060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.919060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.919060 (E_RNA) where: Base-Base interactions energy: -1544.617 where: short stacking energy: -619.515 Base-Backbone interact. energy: 0.727 local terms energy: -658.029299 where: bonds (distance) C4'-P energy: -120.041 bonds (distance) P-C4' energy: -123.294 flat angles C4'-P-C4' energy: -135.866 flat angles P-C4'-P energy: -88.421 tors. eta vs tors. theta energy: -190.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2056.137638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.137638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.137638 (E_RNA) where: Base-Base interactions energy: -1407.013 where: short stacking energy: -609.370 Base-Backbone interact. energy: -0.587 local terms energy: -648.537694 where: bonds (distance) C4'-P energy: -125.596 bonds (distance) P-C4' energy: -133.286 flat angles C4'-P-C4' energy: -137.707 flat angles P-C4'-P energy: -75.854 tors. eta vs tors. theta energy: -176.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2036.036254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.036254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.036254 (E_RNA) where: Base-Base interactions energy: -1439.524 where: short stacking energy: -562.456 Base-Backbone interact. energy: -3.603 local terms energy: -592.909419 where: bonds (distance) C4'-P energy: -111.714 bonds (distance) P-C4' energy: -110.282 flat angles C4'-P-C4' energy: -123.502 flat angles P-C4'-P energy: -88.811 tors. eta vs tors. theta energy: -158.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1923.127960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.127960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.127960 (E_RNA) where: Base-Base interactions energy: -1320.562 where: short stacking energy: -534.144 Base-Backbone interact. energy: -1.162 local terms energy: -601.403822 where: bonds (distance) C4'-P energy: -110.921 bonds (distance) P-C4' energy: -122.752 flat angles C4'-P-C4' energy: -125.159 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -150.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1750.177719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.177719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.177719 (E_RNA) where: Base-Base interactions energy: -1209.868 where: short stacking energy: -486.265 Base-Backbone interact. energy: -4.788 local terms energy: -535.521359 where: bonds (distance) C4'-P energy: -90.415 bonds (distance) P-C4' energy: -107.231 flat angles C4'-P-C4' energy: -117.777 flat angles P-C4'-P energy: -78.918 tors. eta vs tors. theta energy: -141.181 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: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1551.328815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.328815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.328815 (E_RNA) where: Base-Base interactions energy: -1040.881 where: short stacking energy: -448.848 Base-Backbone interact. energy: 1.044 local terms energy: -511.491768 where: bonds (distance) C4'-P energy: -102.111 bonds (distance) P-C4' energy: -108.688 flat angles C4'-P-C4' energy: -115.319 flat angles P-C4'-P energy: -73.750 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: 8, replica: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1270.855049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.855049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.855049 (E_RNA) where: Base-Base interactions energy: -792.237 where: short stacking energy: -349.169 Base-Backbone interact. energy: 0.305 local terms energy: -478.923153 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -98.770 flat angles C4'-P-C4' energy: -117.072 flat angles P-C4'-P energy: -72.881 tors. eta vs tors. theta energy: -87.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1121.504688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.504688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.504688 (E_RNA) where: Base-Base interactions energy: -699.784 where: short stacking energy: -333.876 Base-Backbone interact. energy: -2.213 local terms energy: -419.507139 where: bonds (distance) C4'-P energy: -95.701 bonds (distance) P-C4' energy: -94.433 flat angles C4'-P-C4' energy: -110.125 flat angles P-C4'-P energy: -56.897 tors. eta vs tors. theta energy: -62.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1228.023423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.023423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.023423 (E_RNA) where: Base-Base interactions energy: -785.048 where: short stacking energy: -324.891 Base-Backbone interact. energy: 0.343 local terms energy: -443.318051 where: bonds (distance) C4'-P energy: -98.475 bonds (distance) P-C4' energy: -102.996 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -71.363 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: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2292.717429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.717429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.717429 (E_RNA) where: Base-Base interactions energy: -1590.997 where: short stacking energy: -668.413 Base-Backbone interact. energy: 0.155 local terms energy: -701.875387 where: bonds (distance) C4'-P energy: -118.900 bonds (distance) P-C4' energy: -135.322 flat angles C4'-P-C4' energy: -148.641 flat angles P-C4'-P energy: -101.360 tors. eta vs tors. theta energy: -197.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2171.909260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.909260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.909260 (E_RNA) where: Base-Base interactions energy: -1511.739 where: short stacking energy: -624.650 Base-Backbone interact. energy: -3.251 local terms energy: -656.919439 where: bonds (distance) C4'-P energy: -116.080 bonds (distance) P-C4' energy: -125.559 flat angles C4'-P-C4' energy: -130.387 flat angles P-C4'-P energy: -99.618 tors. eta vs tors. theta energy: -185.276 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: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2072.032083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.032083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.032083 (E_RNA) where: Base-Base interactions energy: -1431.739 where: short stacking energy: -597.952 Base-Backbone interact. energy: -2.599 local terms energy: -637.694142 where: bonds (distance) C4'-P energy: -118.862 bonds (distance) P-C4' energy: -123.565 flat angles C4'-P-C4' energy: -136.977 flat angles P-C4'-P energy: -84.189 tors. eta vs tors. theta energy: -174.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2017.507867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.507867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.507867 (E_RNA) where: Base-Base interactions energy: -1415.568 where: short stacking energy: -562.453 Base-Backbone interact. energy: 0.578 local terms energy: -602.517293 where: bonds (distance) C4'-P energy: -110.746 bonds (distance) P-C4' energy: -115.949 flat angles C4'-P-C4' energy: -126.944 flat angles P-C4'-P energy: -89.236 tors. eta vs tors. theta energy: -159.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1916.003673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.003673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.003673 (E_RNA) where: Base-Base interactions energy: -1343.293 where: short stacking energy: -530.261 Base-Backbone interact. energy: -0.355 local terms energy: -572.354894 where: bonds (distance) C4'-P energy: -111.838 bonds (distance) P-C4' energy: -115.708 flat angles C4'-P-C4' energy: -118.717 flat angles P-C4'-P energy: -77.685 tors. eta vs tors. theta energy: -148.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1732.957905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.957905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.957905 (E_RNA) where: Base-Base interactions energy: -1163.842 where: short stacking energy: -491.058 Base-Backbone interact. energy: 1.924 local terms energy: -571.039307 where: bonds (distance) C4'-P energy: -114.897 bonds (distance) P-C4' energy: -120.741 flat angles C4'-P-C4' energy: -104.384 flat angles P-C4'-P energy: -93.443 tors. eta vs tors. theta energy: -137.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1612.479995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.479995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.479995 (E_RNA) where: Base-Base interactions energy: -1089.904 where: short stacking energy: -460.979 Base-Backbone interact. energy: 3.013 local terms energy: -525.588732 where: bonds (distance) C4'-P energy: -111.425 bonds (distance) P-C4' energy: -98.879 flat angles C4'-P-C4' energy: -122.719 flat angles P-C4'-P energy: -77.770 tors. eta vs tors. theta energy: -114.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1265.384204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.384204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.384204 (E_RNA) where: Base-Base interactions energy: -797.615 where: short stacking energy: -359.481 Base-Backbone interact. energy: -2.055 local terms energy: -465.714136 where: bonds (distance) C4'-P energy: -100.057 bonds (distance) P-C4' energy: -103.558 flat angles C4'-P-C4' energy: -113.121 flat angles P-C4'-P energy: -70.378 tors. eta vs tors. theta energy: -78.600 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: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1172.019596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.019596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.019596 (E_RNA) where: Base-Base interactions energy: -730.927 where: short stacking energy: -335.076 Base-Backbone interact. energy: -1.321 local terms energy: -439.771724 where: bonds (distance) C4'-P energy: -82.379 bonds (distance) P-C4' energy: -108.498 flat angles C4'-P-C4' energy: -113.951 flat angles P-C4'-P energy: -68.724 tors. eta vs tors. theta energy: -66.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1085.078461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.078461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.078461 (E_RNA) where: Base-Base interactions energy: -698.744 where: short stacking energy: -294.709 Base-Backbone interact. energy: -1.558 local terms energy: -384.777354 where: bonds (distance) C4'-P energy: -105.994 bonds (distance) P-C4' energy: -95.221 flat angles C4'-P-C4' energy: -88.265 flat angles P-C4'-P energy: -53.413 tors. eta vs tors. theta energy: -41.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -2274.419694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.419694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.419694 (E_RNA) where: Base-Base interactions energy: -1584.918 where: short stacking energy: -648.547 Base-Backbone interact. energy: -0.653 local terms energy: -688.848562 where: bonds (distance) C4'-P energy: -124.520 bonds (distance) P-C4' energy: -136.528 flat angles C4'-P-C4' energy: -143.515 flat angles P-C4'-P energy: -96.694 tors. eta vs tors. theta energy: -187.591 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: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2165.678108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.678108 (E_RNA) where: Base-Base interactions energy: -1527.012 where: short stacking energy: -616.857 Base-Backbone interact. energy: -1.055 local terms energy: -637.611474 where: bonds (distance) C4'-P energy: -113.615 bonds (distance) P-C4' energy: -114.506 flat angles C4'-P-C4' energy: -135.130 flat angles P-C4'-P energy: -88.955 tors. eta vs tors. theta energy: -185.405 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: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2072.664891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.664891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.664891 (E_RNA) where: Base-Base interactions energy: -1445.948 where: short stacking energy: -583.844 Base-Backbone interact. energy: -2.041 local terms energy: -624.675804 where: bonds (distance) C4'-P energy: -108.458 bonds (distance) P-C4' energy: -115.939 flat angles C4'-P-C4' energy: -136.565 flat angles P-C4'-P energy: -91.978 tors. eta vs tors. theta energy: -171.736 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2055.658705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.658705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.658705 (E_RNA) where: Base-Base interactions energy: -1445.710 where: short stacking energy: -586.492 Base-Backbone interact. energy: -4.324 local terms energy: -605.624804 where: bonds (distance) C4'-P energy: -101.864 bonds (distance) P-C4' energy: -111.959 flat angles C4'-P-C4' energy: -136.259 flat angles P-C4'-P energy: -82.580 tors. eta vs tors. theta energy: -172.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1892.868844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.868844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.868844 (E_RNA) where: Base-Base interactions energy: -1325.131 where: short stacking energy: -543.106 Base-Backbone interact. energy: -2.383 local terms energy: -565.354300 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -111.562 flat angles C4'-P-C4' energy: -113.067 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -157.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1714.170259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.170259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.170259 (E_RNA) where: Base-Base interactions energy: -1164.193 where: short stacking energy: -467.603 Base-Backbone interact. energy: 1.734 local terms energy: -551.711561 where: bonds (distance) C4'-P energy: -113.371 bonds (distance) P-C4' energy: -104.947 flat angles C4'-P-C4' energy: -118.279 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -139.486 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: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1596.631536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.631536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.631536 (E_RNA) where: Base-Base interactions energy: -1061.527 where: short stacking energy: -454.764 Base-Backbone interact. energy: 5.547 local terms energy: -540.651101 where: bonds (distance) C4'-P energy: -109.544 bonds (distance) P-C4' energy: -124.206 flat angles C4'-P-C4' energy: -123.759 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -118.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1230.981511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.981511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.981511 (E_RNA) where: Base-Base interactions energy: -787.602 where: short stacking energy: -342.646 Base-Backbone interact. energy: 0.145 local terms energy: -443.525161 where: bonds (distance) C4'-P energy: -95.467 bonds (distance) P-C4' energy: -94.504 flat angles C4'-P-C4' energy: -106.161 flat angles P-C4'-P energy: -68.773 tors. eta vs tors. theta energy: -78.620 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: 7 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1109.238667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.238667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.238667 (E_RNA) where: Base-Base interactions energy: -697.690 where: short stacking energy: -314.725 Base-Backbone interact. energy: -0.460 local terms energy: -411.089257 where: bonds (distance) C4'-P energy: -101.431 bonds (distance) P-C4' energy: -97.046 flat angles C4'-P-C4' energy: -106.789 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -54.748 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: 1 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1067.178486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.178486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.178486 (E_RNA) where: Base-Base interactions energy: -677.742 where: short stacking energy: -287.839 Base-Backbone interact. energy: 4.019 local terms energy: -393.455499 where: bonds (distance) C4'-P energy: -91.484 bonds (distance) P-C4' energy: -101.760 flat angles C4'-P-C4' energy: -93.096 flat angles P-C4'-P energy: -61.753 tors. eta vs tors. theta energy: -45.363 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: 1, replica: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -2302.965085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.965085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.965085 (E_RNA) where: Base-Base interactions energy: -1613.349 where: short stacking energy: -661.702 Base-Backbone interact. energy: 1.752 local terms energy: -691.367747 where: bonds (distance) C4'-P energy: -128.349 bonds (distance) P-C4' energy: -116.827 flat angles C4'-P-C4' energy: -146.624 flat angles P-C4'-P energy: -104.003 tors. eta vs tors. theta energy: -195.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2182.590027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.590027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.590027 (E_RNA) where: Base-Base interactions energy: -1519.678 where: short stacking energy: -619.240 Base-Backbone interact. energy: -2.376 local terms energy: -660.535681 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -120.442 flat angles C4'-P-C4' energy: -139.981 flat angles P-C4'-P energy: -99.123 tors. eta vs tors. theta energy: -184.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2059.583192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.583192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.583192 (E_RNA) where: Base-Base interactions energy: -1404.902 where: short stacking energy: -561.254 Base-Backbone interact. energy: -2.823 local terms energy: -651.857681 where: bonds (distance) C4'-P energy: -123.828 bonds (distance) P-C4' energy: -121.151 flat angles C4'-P-C4' energy: -137.036 flat angles P-C4'-P energy: -101.516 tors. eta vs tors. theta energy: -168.327 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: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2076.162042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.162042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.162042 (E_RNA) where: Base-Base interactions energy: -1462.392 where: short stacking energy: -578.297 Base-Backbone interact. energy: -0.268 local terms energy: -613.502187 where: bonds (distance) C4'-P energy: -117.200 bonds (distance) P-C4' energy: -115.593 flat angles C4'-P-C4' energy: -128.438 flat angles P-C4'-P energy: -78.843 tors. eta vs tors. theta energy: -173.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1929.469126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.469126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.469126 (E_RNA) where: Base-Base interactions energy: -1321.290 where: short stacking energy: -553.294 Base-Backbone interact. energy: 1.159 local terms energy: -609.338334 where: bonds (distance) C4'-P energy: -111.612 bonds (distance) P-C4' energy: -109.508 flat angles C4'-P-C4' energy: -133.713 flat angles P-C4'-P energy: -91.168 tors. eta vs tors. theta energy: -163.337 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1760.095919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.095919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.095919 (E_RNA) where: Base-Base interactions energy: -1190.800 where: short stacking energy: -503.709 Base-Backbone interact. energy: 0.043 local terms energy: -569.338777 where: bonds (distance) C4'-P energy: -117.331 bonds (distance) P-C4' energy: -99.433 flat angles C4'-P-C4' energy: -119.240 flat angles P-C4'-P energy: -73.339 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: 7, replica: 5 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1545.131263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.131263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.131263 (E_RNA) where: Base-Base interactions energy: -1027.765 where: short stacking energy: -443.935 Base-Backbone interact. energy: -1.963 local terms energy: -515.403706 where: bonds (distance) C4'-P energy: -95.236 bonds (distance) P-C4' energy: -126.135 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -80.797 tors. eta vs tors. theta energy: -112.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1285.657191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.657191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.657191 (E_RNA) where: Base-Base interactions energy: -789.734 where: short stacking energy: -355.465 Base-Backbone interact. energy: 0.122 local terms energy: -496.045164 where: bonds (distance) C4'-P energy: -107.863 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -111.756 flat angles P-C4'-P energy: -81.103 tors. eta vs tors. theta energy: -91.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1117.074423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.074423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.074423 (E_RNA) where: Base-Base interactions energy: -673.026 where: short stacking energy: -315.103 Base-Backbone interact. energy: 1.356 local terms energy: -445.404676 where: bonds (distance) C4'-P energy: -92.021 bonds (distance) P-C4' energy: -95.783 flat angles C4'-P-C4' energy: -115.113 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -64.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1082.993727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.993727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.993727 (E_RNA) where: Base-Base interactions energy: -663.822 where: short stacking energy: -292.947 Base-Backbone interact. energy: -0.907 local terms energy: -418.264483 where: bonds (distance) C4'-P energy: -97.296 bonds (distance) P-C4' energy: -110.990 flat angles C4'-P-C4' energy: -91.674 flat angles P-C4'-P energy: -68.790 tors. eta vs tors. theta energy: -49.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -2253.548204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.548204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.548204 (E_RNA) where: Base-Base interactions energy: -1566.979 where: short stacking energy: -657.880 Base-Backbone interact. energy: 0.261 local terms energy: -686.830576 where: bonds (distance) C4'-P energy: -130.943 bonds (distance) P-C4' energy: -114.823 flat angles C4'-P-C4' energy: -148.217 flat angles P-C4'-P energy: -99.809 tors. eta vs tors. theta energy: -193.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2168.636979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.636979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.636979 (E_RNA) where: Base-Base interactions energy: -1509.061 where: short stacking energy: -613.832 Base-Backbone interact. energy: -4.469 local terms energy: -655.107242 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -119.796 flat angles C4'-P-C4' energy: -143.329 flat angles P-C4'-P energy: -96.635 tors. eta vs tors. theta energy: -184.592 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: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2082.010321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.010321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.010321 (E_RNA) where: Base-Base interactions energy: -1440.488 where: short stacking energy: -595.517 Base-Backbone interact. energy: 2.421 local terms energy: -643.943290 where: bonds (distance) C4'-P energy: -113.529 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -142.015 flat angles P-C4'-P energy: -98.626 tors. eta vs tors. theta energy: -180.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2017.468963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.468963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.468963 (E_RNA) where: Base-Base interactions energy: -1400.538 where: short stacking energy: -563.735 Base-Backbone interact. energy: -0.561 local terms energy: -616.370382 where: bonds (distance) C4'-P energy: -114.478 bonds (distance) P-C4' energy: -127.856 flat angles C4'-P-C4' energy: -131.025 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -163.009 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: 5, replica: 9 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1950.248638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.248638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.248638 (E_RNA) where: Base-Base interactions energy: -1352.294 where: short stacking energy: -568.416 Base-Backbone interact. energy: -2.011 local terms energy: -595.943158 where: bonds (distance) C4'-P energy: -107.465 bonds (distance) P-C4' energy: -107.964 flat angles C4'-P-C4' energy: -133.294 flat angles P-C4'-P energy: -83.351 tors. eta vs tors. theta energy: -163.870 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: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1674.605203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.605203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.605203 (E_RNA) where: Base-Base interactions energy: -1106.007 where: short stacking energy: -480.956 Base-Backbone interact. energy: -0.570 local terms energy: -568.028016 where: bonds (distance) C4'-P energy: -97.447 bonds (distance) P-C4' energy: -124.692 flat angles C4'-P-C4' energy: -129.941 flat angles P-C4'-P energy: -83.657 tors. eta vs tors. theta energy: -132.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1584.835243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.835243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.835243 (E_RNA) where: Base-Base interactions energy: -1078.038 where: short stacking energy: -449.788 Base-Backbone interact. energy: -0.010 local terms energy: -506.787247 where: bonds (distance) C4'-P energy: -102.869 bonds (distance) P-C4' energy: -112.834 flat angles C4'-P-C4' energy: -111.621 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -111.260 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: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1325.639669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.639669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.639669 (E_RNA) where: Base-Base interactions energy: -842.333 where: short stacking energy: -361.355 Base-Backbone interact. energy: -1.840 local terms energy: -481.466324 where: bonds (distance) C4'-P energy: -90.416 bonds (distance) P-C4' energy: -123.841 flat angles C4'-P-C4' energy: -103.178 flat angles P-C4'-P energy: -76.364 tors. eta vs tors. theta energy: -87.667 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: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1086.528229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.528229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.528229 (E_RNA) where: Base-Base interactions energy: -664.736 where: short stacking energy: -289.903 Base-Backbone interact. energy: 4.444 local terms energy: -426.236073 where: bonds (distance) C4'-P energy: -93.292 bonds (distance) P-C4' energy: -118.521 flat angles C4'-P-C4' energy: -89.868 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -46.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1116.952620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.952620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.952620 (E_RNA) where: Base-Base interactions energy: -685.003 where: short stacking energy: -319.045 Base-Backbone interact. energy: 4.074 local terms energy: -436.023549 where: bonds (distance) C4'-P energy: -104.900 bonds (distance) P-C4' energy: -110.187 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -71.081 tors. eta vs tors. theta energy: -59.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -2240.262336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.262336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.262336 (E_RNA) where: Base-Base interactions energy: -1558.796 where: short stacking energy: -644.863 Base-Backbone interact. energy: 3.355 local terms energy: -684.820565 where: bonds (distance) C4'-P energy: -128.757 bonds (distance) P-C4' energy: -123.642 flat angles C4'-P-C4' energy: -136.431 flat angles P-C4'-P energy: -99.003 tors. eta vs tors. theta energy: -196.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2193.478940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.478940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.478940 (E_RNA) where: Base-Base interactions energy: -1531.565 where: short stacking energy: -625.311 Base-Backbone interact. energy: -3.787 local terms energy: -658.127141 where: bonds (distance) C4'-P energy: -113.808 bonds (distance) P-C4' energy: -115.036 flat angles C4'-P-C4' energy: -135.377 flat angles P-C4'-P energy: -96.740 tors. eta vs tors. theta energy: -197.166 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: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2077.305253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.305253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.305253 (E_RNA) where: Base-Base interactions energy: -1454.234 where: short stacking energy: -607.241 Base-Backbone interact. energy: 0.097 local terms energy: -623.168212 where: bonds (distance) C4'-P energy: -108.481 bonds (distance) P-C4' energy: -113.846 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -85.566 tors. eta vs tors. theta energy: -177.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2003.117178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.117178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.117178 (E_RNA) where: Base-Base interactions energy: -1382.609 where: short stacking energy: -559.064 Base-Backbone interact. energy: -1.448 local terms energy: -619.060432 where: bonds (distance) C4'-P energy: -123.904 bonds (distance) P-C4' energy: -122.827 flat angles C4'-P-C4' energy: -123.782 flat angles P-C4'-P energy: -87.785 tors. eta vs tors. theta energy: -160.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1945.799455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.799455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.799455 (E_RNA) where: Base-Base interactions energy: -1360.078 where: short stacking energy: -563.297 Base-Backbone interact. energy: 1.344 local terms energy: -587.064864 where: bonds (distance) C4'-P energy: -110.936 bonds (distance) P-C4' energy: -113.439 flat angles C4'-P-C4' energy: -120.208 flat angles P-C4'-P energy: -75.773 tors. eta vs tors. theta energy: -166.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1652.478674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.478674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.478674 (E_RNA) where: Base-Base interactions energy: -1104.781 where: short stacking energy: -446.386 Base-Backbone interact. energy: -1.359 local terms energy: -546.338081 where: bonds (distance) C4'-P energy: -112.384 bonds (distance) P-C4' energy: -118.576 flat angles C4'-P-C4' energy: -93.314 flat angles P-C4'-P energy: -84.946 tors. eta vs tors. theta energy: -137.118 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: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1605.377533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.377533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.377533 (E_RNA) where: Base-Base interactions energy: -1065.140 where: short stacking energy: -429.268 Base-Backbone interact. energy: -3.769 local terms energy: -536.468288 where: bonds (distance) C4'-P energy: -96.719 bonds (distance) P-C4' energy: -114.769 flat angles C4'-P-C4' energy: -123.107 flat angles P-C4'-P energy: -76.967 tors. eta vs tors. theta energy: -124.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1367.336821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.336821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.336821 (E_RNA) where: Base-Base interactions energy: -887.568 where: short stacking energy: -373.956 Base-Backbone interact. energy: 0.632 local terms energy: -480.400424 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -108.441 flat angles C4'-P-C4' energy: -116.162 flat angles P-C4'-P energy: -62.618 tors. eta vs tors. theta energy: -100.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1092.915069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.915069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.915069 (E_RNA) where: Base-Base interactions energy: -671.925 where: short stacking energy: -308.359 Base-Backbone interact. energy: -0.188 local terms energy: -420.801401 where: bonds (distance) C4'-P energy: -89.246 bonds (distance) P-C4' energy: -92.254 flat angles C4'-P-C4' energy: -98.794 flat angles P-C4'-P energy: -75.336 tors. eta vs tors. theta energy: -65.172 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: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1105.326717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.326717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.326717 (E_RNA) where: Base-Base interactions energy: -713.999 where: short stacking energy: -298.698 Base-Backbone interact. energy: 0.329 local terms energy: -391.656191 where: bonds (distance) C4'-P energy: -77.935 bonds (distance) P-C4' energy: -103.805 flat angles C4'-P-C4' energy: -100.413 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -64.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -2259.545578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.545578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.545578 (E_RNA) where: Base-Base interactions energy: -1550.217 where: short stacking energy: -632.599 Base-Backbone interact. energy: -2.786 local terms energy: -706.543174 where: bonds (distance) C4'-P energy: -128.022 bonds (distance) P-C4' energy: -128.041 flat angles C4'-P-C4' energy: -146.714 flat angles P-C4'-P energy: -111.615 tors. eta vs tors. theta energy: -192.151 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2204.854142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.854142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.854142 (E_RNA) where: Base-Base interactions energy: -1543.878 where: short stacking energy: -625.202 Base-Backbone interact. energy: -4.069 local terms energy: -656.907260 where: bonds (distance) C4'-P energy: -110.433 bonds (distance) P-C4' energy: -126.074 flat angles C4'-P-C4' energy: -148.780 flat angles P-C4'-P energy: -85.776 tors. eta vs tors. theta energy: -185.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2089.433695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.433695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.433695 (E_RNA) where: Base-Base interactions energy: -1450.203 where: short stacking energy: -621.814 Base-Backbone interact. energy: -1.541 local terms energy: -637.689654 where: bonds (distance) C4'-P energy: -112.427 bonds (distance) P-C4' energy: -116.882 flat angles C4'-P-C4' energy: -141.331 flat angles P-C4'-P energy: -90.026 tors. eta vs tors. theta energy: -177.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2029.646267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.646267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.646267 (E_RNA) where: Base-Base interactions energy: -1411.213 where: short stacking energy: -566.094 Base-Backbone interact. energy: -0.688 local terms energy: -617.744718 where: bonds (distance) C4'-P energy: -111.425 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -137.613 flat angles P-C4'-P energy: -86.659 tors. eta vs tors. theta energy: -167.667 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: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1985.063525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.063525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.063525 (E_RNA) where: Base-Base interactions energy: -1362.805 where: short stacking energy: -575.302 Base-Backbone interact. energy: 0.414 local terms energy: -622.671926 where: bonds (distance) C4'-P energy: -111.245 bonds (distance) P-C4' energy: -118.501 flat angles C4'-P-C4' energy: -123.936 flat angles P-C4'-P energy: -92.424 tors. eta vs tors. theta energy: -176.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1662.065952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.065952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.065952 (E_RNA) where: Base-Base interactions energy: -1112.801 where: short stacking energy: -497.900 Base-Backbone interact. energy: 2.585 local terms energy: -551.849762 where: bonds (distance) C4'-P energy: -89.612 bonds (distance) P-C4' energy: -110.170 flat angles C4'-P-C4' energy: -127.826 flat angles P-C4'-P energy: -76.469 tors. eta vs tors. theta energy: -147.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1522.596547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.596547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.596547 (E_RNA) where: Base-Base interactions energy: -1011.160 where: short stacking energy: -427.798 Base-Backbone interact. energy: 0.602 local terms energy: -512.038585 where: bonds (distance) C4'-P energy: -106.584 bonds (distance) P-C4' energy: -100.249 flat angles C4'-P-C4' energy: -108.700 flat angles P-C4'-P energy: -74.444 tors. eta vs tors. theta energy: -122.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1376.347931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.347931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.347931 (E_RNA) where: Base-Base interactions energy: -904.010 where: short stacking energy: -392.407 Base-Backbone interact. energy: 0.694 local terms energy: -473.032602 where: bonds (distance) C4'-P energy: -100.761 bonds (distance) P-C4' energy: -97.517 flat angles C4'-P-C4' energy: -106.104 flat angles P-C4'-P energy: -68.411 tors. eta vs tors. theta energy: -100.239 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: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1158.914548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.914548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.914548 (E_RNA) where: Base-Base interactions energy: -744.409 where: short stacking energy: -327.518 Base-Backbone interact. energy: -2.235 local terms energy: -412.269981 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -92.106 flat angles C4'-P-C4' energy: -99.477 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -56.792 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: 214 Temperature: 1.350000 Total energy: -1063.660718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.660718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.660718 (E_RNA) where: Base-Base interactions energy: -674.340 where: short stacking energy: -307.360 Base-Backbone interact. energy: -0.333 local terms energy: -388.987703 where: bonds (distance) C4'-P energy: -93.891 bonds (distance) P-C4' energy: -104.215 flat angles C4'-P-C4' energy: -87.170 flat angles P-C4'-P energy: -51.625 tors. eta vs tors. theta energy: -52.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -2258.222688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.222688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.222688 (E_RNA) where: Base-Base interactions energy: -1579.490 where: short stacking energy: -668.926 Base-Backbone interact. energy: -0.500 local terms energy: -678.233207 where: bonds (distance) C4'-P energy: -126.368 bonds (distance) P-C4' energy: -114.106 flat angles C4'-P-C4' energy: -144.320 flat angles P-C4'-P energy: -97.446 tors. eta vs tors. theta energy: -195.994 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: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2179.549613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.549613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.549613 (E_RNA) where: Base-Base interactions energy: -1516.932 where: short stacking energy: -614.597 Base-Backbone interact. energy: -4.222 local terms energy: -658.395344 where: bonds (distance) C4'-P energy: -123.953 bonds (distance) P-C4' energy: -108.171 flat angles C4'-P-C4' energy: -143.033 flat angles P-C4'-P energy: -100.603 tors. eta vs tors. theta energy: -182.637 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: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2113.630295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.630295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.630295 (E_RNA) where: Base-Base interactions energy: -1470.285 where: short stacking energy: -607.698 Base-Backbone interact. energy: -0.764 local terms energy: -642.581680 where: bonds (distance) C4'-P energy: -122.256 bonds (distance) P-C4' energy: -110.324 flat angles C4'-P-C4' energy: -139.091 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -179.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2019.978871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.978871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.978871 (E_RNA) where: Base-Base interactions energy: -1396.868 where: short stacking energy: -592.085 Base-Backbone interact. energy: -2.155 local terms energy: -620.955459 where: bonds (distance) C4'-P energy: -108.713 bonds (distance) P-C4' energy: -119.104 flat angles C4'-P-C4' energy: -139.425 flat angles P-C4'-P energy: -77.372 tors. eta vs tors. theta energy: -176.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1975.424747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.424747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.424747 (E_RNA) where: Base-Base interactions energy: -1383.935 where: short stacking energy: -562.469 Base-Backbone interact. energy: -2.910 local terms energy: -588.578985 where: bonds (distance) C4'-P energy: -111.998 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -131.502 flat angles P-C4'-P energy: -77.626 tors. eta vs tors. theta energy: -155.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1692.840424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.840424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.840424 (E_RNA) where: Base-Base interactions energy: -1117.511 where: short stacking energy: -482.921 Base-Backbone interact. energy: -2.236 local terms energy: -573.092709 where: bonds (distance) C4'-P energy: -112.190 bonds (distance) P-C4' energy: -99.476 flat angles C4'-P-C4' energy: -133.264 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: -148.104 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: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1560.329854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.329854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.329854 (E_RNA) where: Base-Base interactions energy: -1039.302 where: short stacking energy: -458.787 Base-Backbone interact. energy: 0.875 local terms energy: -521.903185 where: bonds (distance) C4'-P energy: -115.700 bonds (distance) P-C4' energy: -100.762 flat angles C4'-P-C4' energy: -121.972 flat angles P-C4'-P energy: -62.292 tors. eta vs tors. theta energy: -121.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1456.512792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.512792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.512792 (E_RNA) where: Base-Base interactions energy: -969.619 where: short stacking energy: -405.140 Base-Backbone interact. energy: -1.360 local terms energy: -485.533835 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -120.037 flat angles C4'-P-C4' energy: -109.929 flat angles P-C4'-P energy: -56.239 tors. eta vs tors. theta energy: -106.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1168.804771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.804771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.804771 (E_RNA) where: Base-Base interactions energy: -749.126 where: short stacking energy: -321.529 Base-Backbone interact. energy: 0.723 local terms energy: -420.401847 where: bonds (distance) C4'-P energy: -75.362 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -47.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1073.510743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.510743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.510743 (E_RNA) where: Base-Base interactions energy: -689.823 where: short stacking energy: -314.200 Base-Backbone interact. energy: 1.040 local terms energy: -384.727705 where: bonds (distance) C4'-P energy: -97.164 bonds (distance) P-C4' energy: -89.470 flat angles C4'-P-C4' energy: -96.810 flat angles P-C4'-P energy: -52.163 tors. eta vs tors. theta energy: -49.121 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: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -2279.490304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.490304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.490304 (E_RNA) where: Base-Base interactions energy: -1601.731 where: short stacking energy: -657.971 Base-Backbone interact. energy: 1.559 local terms energy: -679.317789 where: bonds (distance) C4'-P energy: -124.358 bonds (distance) P-C4' energy: -115.793 flat angles C4'-P-C4' energy: -140.039 flat angles P-C4'-P energy: -104.525 tors. eta vs tors. theta energy: -194.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2175.646926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.646926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.646926 (E_RNA) where: Base-Base interactions energy: -1533.080 where: short stacking energy: -622.733 Base-Backbone interact. energy: -2.191 local terms energy: -640.375246 where: bonds (distance) C4'-P energy: -108.095 bonds (distance) P-C4' energy: -116.637 flat angles C4'-P-C4' energy: -139.013 flat angles P-C4'-P energy: -93.957 tors. eta vs tors. theta energy: -182.673 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: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2055.833096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.833096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.833096 (E_RNA) where: Base-Base interactions energy: -1412.992 where: short stacking energy: -603.971 Base-Backbone interact. energy: -0.408 local terms energy: -642.432281 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -122.376 flat angles C4'-P-C4' energy: -139.337 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -169.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2033.632665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.632665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.632665 (E_RNA) where: Base-Base interactions energy: -1398.479 where: short stacking energy: -592.889 Base-Backbone interact. energy: -0.825 local terms energy: -634.329162 where: bonds (distance) C4'-P energy: -116.643 bonds (distance) P-C4' energy: -125.164 flat angles C4'-P-C4' energy: -131.252 flat angles P-C4'-P energy: -89.924 tors. eta vs tors. theta energy: -171.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1989.590485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.590485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.590485 (E_RNA) where: Base-Base interactions energy: -1382.048 where: short stacking energy: -571.916 Base-Backbone interact. energy: -1.670 local terms energy: -605.872146 where: bonds (distance) C4'-P energy: -114.749 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -132.393 flat angles P-C4'-P energy: -92.070 tors. eta vs tors. theta energy: -163.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1678.702393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.702393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.702393 (E_RNA) where: Base-Base interactions energy: -1146.880 where: short stacking energy: -496.463 Base-Backbone interact. energy: 0.536 local terms energy: -532.357976 where: bonds (distance) C4'-P energy: -109.086 bonds (distance) P-C4' energy: -92.798 flat angles C4'-P-C4' energy: -111.324 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -136.902 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: 7, replica: 4 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1469.078625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.078625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.078625 (E_RNA) where: Base-Base interactions energy: -963.362 where: short stacking energy: -407.329 Base-Backbone interact. energy: -0.110 local terms energy: -505.606627 where: bonds (distance) C4'-P energy: -102.968 bonds (distance) P-C4' energy: -109.017 flat angles C4'-P-C4' energy: -121.784 flat angles P-C4'-P energy: -64.682 tors. eta vs tors. theta energy: -107.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1524.963755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.963755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.963755 (E_RNA) where: Base-Base interactions energy: -1002.507 where: short stacking energy: -430.225 Base-Backbone interact. energy: -0.531 local terms energy: -521.925193 where: bonds (distance) C4'-P energy: -102.645 bonds (distance) P-C4' energy: -109.449 flat angles C4'-P-C4' energy: -109.488 flat angles P-C4'-P energy: -82.445 tors. eta vs tors. theta energy: -117.899 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: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1199.804313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.804313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.804313 (E_RNA) where: Base-Base interactions energy: -738.533 where: short stacking energy: -316.765 Base-Backbone interact. energy: -0.235 local terms energy: -461.036629 where: bonds (distance) C4'-P energy: -95.474 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -103.004 flat angles P-C4'-P energy: -84.699 tors. eta vs tors. theta energy: -67.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1043.309414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.309414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.309414 (E_RNA) where: Base-Base interactions energy: -654.476 where: short stacking energy: -300.011 Base-Backbone interact. energy: 2.064 local terms energy: -390.897870 where: bonds (distance) C4'-P energy: -87.524 bonds (distance) P-C4' energy: -99.176 flat angles C4'-P-C4' energy: -93.615 flat angles P-C4'-P energy: -65.223 tors. eta vs tors. theta energy: -45.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -2321.610225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.610225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.610225 (E_RNA) where: Base-Base interactions energy: -1615.289 where: short stacking energy: -660.456 Base-Backbone interact. energy: -0.898 local terms energy: -705.423031 where: bonds (distance) C4'-P energy: -135.527 bonds (distance) P-C4' energy: -129.335 flat angles C4'-P-C4' energy: -139.628 flat angles P-C4'-P energy: -90.989 tors. eta vs tors. theta energy: -209.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2154.076824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.076824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.076824 (E_RNA) where: Base-Base interactions energy: -1476.142 where: short stacking energy: -625.528 Base-Backbone interact. energy: 0.639 local terms energy: -678.573776 where: bonds (distance) C4'-P energy: -122.943 bonds (distance) P-C4' energy: -124.875 flat angles C4'-P-C4' energy: -143.771 flat angles P-C4'-P energy: -91.584 tors. eta vs tors. theta energy: -195.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2114.644765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.644765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.644765 (E_RNA) where: Base-Base interactions energy: -1455.303 where: short stacking energy: -626.280 Base-Backbone interact. energy: 0.437 local terms energy: -659.779114 where: bonds (distance) C4'-P energy: -105.550 bonds (distance) P-C4' energy: -121.434 flat angles C4'-P-C4' energy: -143.466 flat angles P-C4'-P energy: -98.140 tors. eta vs tors. theta energy: -191.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2066.417401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.417401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.417401 (E_RNA) where: Base-Base interactions energy: -1412.017 where: short stacking energy: -587.458 Base-Backbone interact. energy: -2.816 local terms energy: -651.584774 where: bonds (distance) C4'-P energy: -125.597 bonds (distance) P-C4' energy: -114.571 flat angles C4'-P-C4' energy: -134.084 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -179.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1939.114474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.114474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.114474 (E_RNA) where: Base-Base interactions energy: -1340.430 where: short stacking energy: -558.058 Base-Backbone interact. energy: 3.293 local terms energy: -601.977468 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -106.723 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -93.621 tors. eta vs tors. theta energy: -165.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1614.189362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.189362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.189362 (E_RNA) where: Base-Base interactions energy: -1075.028 where: short stacking energy: -437.331 Base-Backbone interact. energy: -1.641 local terms energy: -537.519958 where: bonds (distance) C4'-P energy: -110.893 bonds (distance) P-C4' energy: -105.123 flat angles C4'-P-C4' energy: -128.981 flat angles P-C4'-P energy: -75.730 tors. eta vs tors. theta energy: -116.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1506.353391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.353391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.353391 (E_RNA) where: Base-Base interactions energy: -981.999 where: short stacking energy: -418.900 Base-Backbone interact. energy: -0.300 local terms energy: -524.054327 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -117.601 flat angles C4'-P-C4' energy: -126.563 flat angles P-C4'-P energy: -76.416 tors. eta vs tors. theta energy: -106.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1502.678116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.678116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.678116 (E_RNA) where: Base-Base interactions energy: -1008.535 where: short stacking energy: -406.086 Base-Backbone interact. energy: 6.273 local terms energy: -500.416178 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -107.525 flat angles C4'-P-C4' energy: -116.014 flat angles P-C4'-P energy: -77.926 tors. eta vs tors. theta energy: -102.111 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: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1204.562550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.562550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.562550 (E_RNA) where: Base-Base interactions energy: -776.405 where: short stacking energy: -335.988 Base-Backbone interact. energy: -2.018 local terms energy: -426.140243 where: bonds (distance) C4'-P energy: -104.046 bonds (distance) P-C4' energy: -102.337 flat angles C4'-P-C4' energy: -92.524 flat angles P-C4'-P energy: -67.235 tors. eta vs tors. theta energy: -59.999 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: 7 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1063.077930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.077930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.077930 (E_RNA) where: Base-Base interactions energy: -637.325 where: short stacking energy: -293.254 Base-Backbone interact. energy: -1.540 local terms energy: -424.212003 where: bonds (distance) C4'-P energy: -87.264 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -106.386 flat angles P-C4'-P energy: -77.381 tors. eta vs tors. theta energy: -54.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -2292.683038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.683038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.683038 (E_RNA) where: Base-Base interactions energy: -1598.886 where: short stacking energy: -655.115 Base-Backbone interact. energy: -1.838 local terms energy: -691.958605 where: bonds (distance) C4'-P energy: -134.131 bonds (distance) P-C4' energy: -116.931 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -93.345 tors. eta vs tors. theta energy: -204.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2162.462271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.462271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.462271 (E_RNA) where: Base-Base interactions energy: -1511.066 where: short stacking energy: -610.541 Base-Backbone interact. energy: -4.496 local terms energy: -646.900733 where: bonds (distance) C4'-P energy: -101.389 bonds (distance) P-C4' energy: -125.820 flat angles C4'-P-C4' energy: -140.224 flat angles P-C4'-P energy: -94.353 tors. eta vs tors. theta energy: -185.113 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: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2075.186851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.186851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.186851 (E_RNA) where: Base-Base interactions energy: -1427.134 where: short stacking energy: -613.292 Base-Backbone interact. energy: -0.600 local terms energy: -647.452284 where: bonds (distance) C4'-P energy: -120.845 bonds (distance) P-C4' energy: -128.392 flat angles C4'-P-C4' energy: -129.394 flat angles P-C4'-P energy: -97.124 tors. eta vs tors. theta energy: -171.696 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: 9 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2026.042500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.042500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.042500 (E_RNA) where: Base-Base interactions energy: -1398.751 where: short stacking energy: -569.678 Base-Backbone interact. energy: -2.431 local terms energy: -624.860210 where: bonds (distance) C4'-P energy: -111.716 bonds (distance) P-C4' energy: -120.199 flat angles C4'-P-C4' energy: -141.954 flat angles P-C4'-P energy: -80.419 tors. eta vs tors. theta energy: -170.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1938.761593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.761593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.761593 (E_RNA) where: Base-Base interactions energy: -1336.267 where: short stacking energy: -528.677 Base-Backbone interact. energy: -3.160 local terms energy: -599.334300 where: bonds (distance) C4'-P energy: -109.760 bonds (distance) P-C4' energy: -114.591 flat angles C4'-P-C4' energy: -139.794 flat angles P-C4'-P energy: -85.427 tors. eta vs tors. theta energy: -149.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1595.174757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.174757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.174757 (E_RNA) where: Base-Base interactions energy: -1077.570 where: short stacking energy: -491.713 Base-Backbone interact. energy: -1.951 local terms energy: -515.653625 where: bonds (distance) C4'-P energy: -98.732 bonds (distance) P-C4' energy: -106.401 flat angles C4'-P-C4' energy: -112.213 flat angles P-C4'-P energy: -67.148 tors. eta vs tors. theta energy: -131.160 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: 4 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1505.217468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.217468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.217468 (E_RNA) where: Base-Base interactions energy: -979.210 where: short stacking energy: -425.069 Base-Backbone interact. energy: 9.579 local terms energy: -535.585909 where: bonds (distance) C4'-P energy: -98.055 bonds (distance) P-C4' energy: -124.693 flat angles C4'-P-C4' energy: -122.703 flat angles P-C4'-P energy: -86.771 tors. eta vs tors. theta energy: -103.364 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: 218 Temperature: 1.250000 Total energy: -1548.569619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.569619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.569619 (E_RNA) where: Base-Base interactions energy: -1066.757 where: short stacking energy: -458.860 Base-Backbone interact. energy: -1.572 local terms energy: -480.240387 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -91.106 flat angles C4'-P-C4' energy: -102.935 flat angles P-C4'-P energy: -64.013 tors. eta vs tors. theta energy: -124.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1242.949780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.949780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.949780 (E_RNA) where: Base-Base interactions energy: -777.698 where: short stacking energy: -353.906 Base-Backbone interact. energy: 9.366 local terms energy: -474.617380 where: bonds (distance) C4'-P energy: -106.337 bonds (distance) P-C4' energy: -112.258 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -66.097 tors. eta vs tors. theta energy: -85.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1040.228158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.228158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.228158 (E_RNA) where: Base-Base interactions energy: -643.204 where: short stacking energy: -319.669 Base-Backbone interact. energy: 1.944 local terms energy: -398.967867 where: bonds (distance) C4'-P energy: -99.519 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -107.580 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: -41.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -2287.538036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.538036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.538036 (E_RNA) where: Base-Base interactions energy: -1596.860 where: short stacking energy: -655.641 Base-Backbone interact. energy: -1.266 local terms energy: -689.411894 where: bonds (distance) C4'-P energy: -124.215 bonds (distance) P-C4' energy: -126.060 flat angles C4'-P-C4' energy: -137.513 flat angles P-C4'-P energy: -102.795 tors. eta vs tors. theta energy: -198.828 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: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2206.210576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.210576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.210576 (E_RNA) where: Base-Base interactions energy: -1524.529 where: short stacking energy: -638.399 Base-Backbone interact. energy: -1.660 local terms energy: -680.021128 where: bonds (distance) C4'-P energy: -120.706 bonds (distance) P-C4' energy: -128.407 flat angles C4'-P-C4' energy: -140.599 flat angles P-C4'-P energy: -98.671 tors. eta vs tors. theta energy: -191.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2118.397079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.397079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.397079 (E_RNA) where: Base-Base interactions energy: -1472.082 where: short stacking energy: -626.558 Base-Backbone interact. energy: -1.532 local terms energy: -644.782934 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -118.929 flat angles C4'-P-C4' energy: -137.228 flat angles P-C4'-P energy: -103.069 tors. eta vs tors. theta energy: -194.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1983.387404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.387404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.387404 (E_RNA) where: Base-Base interactions energy: -1371.723 where: short stacking energy: -569.769 Base-Backbone interact. energy: -0.554 local terms energy: -611.110191 where: bonds (distance) C4'-P energy: -117.334 bonds (distance) P-C4' energy: -110.512 flat angles C4'-P-C4' energy: -137.488 flat angles P-C4'-P energy: -81.251 tors. eta vs tors. theta energy: -164.524 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: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1940.021834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.021834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.021834 (E_RNA) where: Base-Base interactions energy: -1359.624 where: short stacking energy: -538.067 Base-Backbone interact. energy: -1.636 local terms energy: -578.762153 where: bonds (distance) C4'-P energy: -96.581 bonds (distance) P-C4' energy: -104.967 flat angles C4'-P-C4' energy: -133.317 flat angles P-C4'-P energy: -88.013 tors. eta vs tors. theta energy: -155.884 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: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1636.677144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.677144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.677144 (E_RNA) where: Base-Base interactions energy: -1095.795 where: short stacking energy: -476.243 Base-Backbone interact. energy: -1.265 local terms energy: -539.616981 where: bonds (distance) C4'-P energy: -112.059 bonds (distance) P-C4' energy: -94.220 flat angles C4'-P-C4' energy: -122.921 flat angles P-C4'-P energy: -81.388 tors. eta vs tors. theta energy: -129.030 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: 7, replica: 4 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1490.282895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.282895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.282895 (E_RNA) where: Base-Base interactions energy: -961.679 where: short stacking energy: -429.101 Base-Backbone interact. energy: -1.698 local terms energy: -526.906619 where: bonds (distance) C4'-P energy: -99.057 bonds (distance) P-C4' energy: -122.672 flat angles C4'-P-C4' energy: -118.049 flat angles P-C4'-P energy: -83.553 tors. eta vs tors. theta energy: -103.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1478.576476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.576476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.576476 (E_RNA) where: Base-Base interactions energy: -982.103 where: short stacking energy: -401.188 Base-Backbone interact. energy: -3.555 local terms energy: -492.918879 where: bonds (distance) C4'-P energy: -96.680 bonds (distance) P-C4' energy: -119.028 flat angles C4'-P-C4' energy: -100.300 flat angles P-C4'-P energy: -71.564 tors. eta vs tors. theta energy: -105.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1195.494027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.494027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.494027 (E_RNA) where: Base-Base interactions energy: -757.817 where: short stacking energy: -343.648 Base-Backbone interact. energy: -1.071 local terms energy: -436.606436 where: bonds (distance) C4'-P energy: -102.069 bonds (distance) P-C4' energy: -101.595 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -63.676 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: 219 Temperature: 1.350000 Total energy: -1043.997164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.997164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.997164 (E_RNA) where: Base-Base interactions energy: -639.625 where: short stacking energy: -278.615 Base-Backbone interact. energy: -2.559 local terms energy: -401.812591 where: bonds (distance) C4'-P energy: -101.429 bonds (distance) P-C4' energy: -88.841 flat angles C4'-P-C4' energy: -96.177 flat angles P-C4'-P energy: -63.635 tors. eta vs tors. theta energy: -51.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -2290.612926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.612926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.612926 (E_RNA) where: Base-Base interactions energy: -1579.369 where: short stacking energy: -661.421 Base-Backbone interact. energy: -1.018 local terms energy: -710.225698 where: bonds (distance) C4'-P energy: -125.349 bonds (distance) P-C4' energy: -124.368 flat angles C4'-P-C4' energy: -149.333 flat angles P-C4'-P energy: -111.599 tors. eta vs tors. theta energy: -199.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2219.526638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.526638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.526638 (E_RNA) where: Base-Base interactions energy: -1559.198 where: short stacking energy: -644.682 Base-Backbone interact. energy: -2.058 local terms energy: -658.271253 where: bonds (distance) C4'-P energy: -118.521 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -137.510 flat angles P-C4'-P energy: -98.462 tors. eta vs tors. theta energy: -192.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2094.094745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.094745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.094745 (E_RNA) where: Base-Base interactions energy: -1460.145 where: short stacking energy: -614.807 Base-Backbone interact. energy: 0.404 local terms energy: -634.353309 where: bonds (distance) C4'-P energy: -121.391 bonds (distance) P-C4' energy: -118.256 flat angles C4'-P-C4' energy: -136.899 flat angles P-C4'-P energy: -86.311 tors. eta vs tors. theta energy: -171.495 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: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2021.977777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.977777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.977777 (E_RNA) where: Base-Base interactions energy: -1404.783 where: short stacking energy: -593.090 Base-Backbone interact. energy: -0.261 local terms energy: -616.933225 where: bonds (distance) C4'-P energy: -106.345 bonds (distance) P-C4' energy: -106.538 flat angles C4'-P-C4' energy: -134.220 flat angles P-C4'-P energy: -90.139 tors. eta vs tors. theta energy: -179.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1959.861397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.861397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.861397 (E_RNA) where: Base-Base interactions energy: -1355.790 where: short stacking energy: -540.536 Base-Backbone interact. energy: 4.715 local terms energy: -608.786422 where: bonds (distance) C4'-P energy: -108.474 bonds (distance) P-C4' energy: -111.588 flat angles C4'-P-C4' energy: -126.660 flat angles P-C4'-P energy: -93.060 tors. eta vs tors. theta energy: -169.004 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: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1649.306389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.306389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.306389 (E_RNA) where: Base-Base interactions energy: -1092.391 where: short stacking energy: -484.305 Base-Backbone interact. energy: 2.442 local terms energy: -559.357604 where: bonds (distance) C4'-P energy: -109.683 bonds (distance) P-C4' energy: -120.405 flat angles C4'-P-C4' energy: -120.210 flat angles P-C4'-P energy: -66.751 tors. eta vs tors. theta energy: -142.309 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: 220 Temperature: 1.200000 Total energy: -1547.543055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.543055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.543055 (E_RNA) where: Base-Base interactions energy: -1025.605 where: short stacking energy: -447.686 Base-Backbone interact. energy: 2.746 local terms energy: -524.684028 where: bonds (distance) C4'-P energy: -78.065 bonds (distance) P-C4' energy: -117.032 flat angles C4'-P-C4' energy: -126.792 flat angles P-C4'-P energy: -74.828 tors. eta vs tors. theta energy: -127.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1453.151534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.151534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.151534 (E_RNA) where: Base-Base interactions energy: -961.001 where: short stacking energy: -408.736 Base-Backbone interact. energy: 2.188 local terms energy: -494.338499 where: bonds (distance) C4'-P energy: -97.184 bonds (distance) P-C4' energy: -111.690 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -72.507 tors. eta vs tors. theta energy: -98.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1236.291617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.291617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.291617 (E_RNA) where: Base-Base interactions energy: -805.669 where: short stacking energy: -354.956 Base-Backbone interact. energy: -1.250 local terms energy: -429.372327 where: bonds (distance) C4'-P energy: -95.306 bonds (distance) P-C4' energy: -100.394 flat angles C4'-P-C4' energy: -96.041 flat angles P-C4'-P energy: -56.983 tors. eta vs tors. theta energy: -80.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1045.366446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.366446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.366446 (E_RNA) where: Base-Base interactions energy: -660.312 where: short stacking energy: -301.404 Base-Backbone interact. energy: 1.535 local terms energy: -386.589489 where: bonds (distance) C4'-P energy: -74.983 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -89.162 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -56.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -2273.701149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.701149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.701149 (E_RNA) where: Base-Base interactions energy: -1604.354 where: short stacking energy: -663.558 Base-Backbone interact. energy: -1.654 local terms energy: -667.693573 where: bonds (distance) C4'-P energy: -111.856 bonds (distance) P-C4' energy: -129.371 flat angles C4'-P-C4' energy: -137.595 flat angles P-C4'-P energy: -93.190 tors. eta vs tors. theta energy: -195.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2205.606562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.606562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.606562 (E_RNA) where: Base-Base interactions energy: -1528.096 where: short stacking energy: -647.579 Base-Backbone interact. energy: -4.881 local terms energy: -672.629485 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -123.483 flat angles C4'-P-C4' energy: -137.309 flat angles P-C4'-P energy: -105.457 tors. eta vs tors. theta energy: -195.625 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: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2123.027076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.027076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.027076 (E_RNA) where: Base-Base interactions energy: -1463.998 where: short stacking energy: -594.275 Base-Backbone interact. energy: -1.264 local terms energy: -657.764676 where: bonds (distance) C4'-P energy: -108.505 bonds (distance) P-C4' energy: -137.026 flat angles C4'-P-C4' energy: -128.250 flat angles P-C4'-P energy: -100.838 tors. eta vs tors. theta energy: -183.147 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: 221 Temperature: 1.050000 Total energy: -2022.858662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.858662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.858662 (E_RNA) where: Base-Base interactions energy: -1389.332 where: short stacking energy: -588.767 Base-Backbone interact. energy: -1.626 local terms energy: -631.900712 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -106.668 flat angles C4'-P-C4' energy: -132.342 flat angles P-C4'-P energy: -88.610 tors. eta vs tors. theta energy: -185.888 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: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1915.635834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.635834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.635834 (E_RNA) where: Base-Base interactions energy: -1342.406 where: short stacking energy: -528.217 Base-Backbone interact. energy: -3.139 local terms energy: -570.091278 where: bonds (distance) C4'-P energy: -95.960 bonds (distance) P-C4' energy: -112.223 flat angles C4'-P-C4' energy: -121.755 flat angles P-C4'-P energy: -90.873 tors. eta vs tors. theta energy: -149.280 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: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1746.181359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.181359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.181359 (E_RNA) where: Base-Base interactions energy: -1198.252 where: short stacking energy: -493.155 Base-Backbone interact. energy: 1.052 local terms energy: -548.981455 where: bonds (distance) C4'-P energy: -105.269 bonds (distance) P-C4' energy: -109.956 flat angles C4'-P-C4' energy: -120.264 flat angles P-C4'-P energy: -71.194 tors. eta vs tors. theta energy: -142.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1550.882270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.882270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.882270 (E_RNA) where: Base-Base interactions energy: -1026.831 where: short stacking energy: -443.015 Base-Backbone interact. energy: -2.079 local terms energy: -521.972109 where: bonds (distance) C4'-P energy: -105.483 bonds (distance) P-C4' energy: -107.378 flat angles C4'-P-C4' energy: -109.483 flat angles P-C4'-P energy: -85.308 tors. eta vs tors. theta energy: -114.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1445.707900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.707900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.707900 (E_RNA) where: Base-Base interactions energy: -962.701 where: short stacking energy: -409.419 Base-Backbone interact. energy: -0.797 local terms energy: -482.209611 where: bonds (distance) C4'-P energy: -100.894 bonds (distance) P-C4' energy: -85.358 flat angles C4'-P-C4' energy: -115.208 flat angles P-C4'-P energy: -81.314 tors. eta vs tors. theta energy: -99.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1272.463585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.463585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.463585 (E_RNA) where: Base-Base interactions energy: -820.979 where: short stacking energy: -351.792 Base-Backbone interact. energy: -2.171 local terms energy: -449.313704 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -103.158 flat angles C4'-P-C4' energy: -106.116 flat angles P-C4'-P energy: -59.893 tors. eta vs tors. theta energy: -73.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1070.313496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.313496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.313496 (E_RNA) where: Base-Base interactions energy: -659.202 where: short stacking energy: -280.851 Base-Backbone interact. energy: 0.547 local terms energy: -411.658058 where: bonds (distance) C4'-P energy: -107.742 bonds (distance) P-C4' energy: -97.788 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -50.953 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: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -2269.999202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.999202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.999202 (E_RNA) where: Base-Base interactions energy: -1564.435 where: short stacking energy: -655.237 Base-Backbone interact. energy: 2.332 local terms energy: -707.895535 where: bonds (distance) C4'-P energy: -130.742 bonds (distance) P-C4' energy: -137.927 flat angles C4'-P-C4' energy: -145.225 flat angles P-C4'-P energy: -95.221 tors. eta vs tors. theta energy: -198.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2196.164159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.164159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.164159 (E_RNA) where: Base-Base interactions energy: -1521.412 where: short stacking energy: -640.301 Base-Backbone interact. energy: -2.327 local terms energy: -672.424603 where: bonds (distance) C4'-P energy: -121.689 bonds (distance) P-C4' energy: -121.250 flat angles C4'-P-C4' energy: -141.978 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -194.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2097.063141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.063141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.063141 (E_RNA) where: Base-Base interactions energy: -1450.149 where: short stacking energy: -618.000 Base-Backbone interact. energy: -2.569 local terms energy: -644.344702 where: bonds (distance) C4'-P energy: -120.495 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -137.357 flat angles P-C4'-P energy: -87.010 tors. eta vs tors. theta energy: -187.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2003.679123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.679123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.679123 (E_RNA) where: Base-Base interactions energy: -1393.787 where: short stacking energy: -577.538 Base-Backbone interact. energy: -1.553 local terms energy: -608.339512 where: bonds (distance) C4'-P energy: -118.249 bonds (distance) P-C4' energy: -114.219 flat angles C4'-P-C4' energy: -122.152 flat angles P-C4'-P energy: -91.469 tors. eta vs tors. theta energy: -162.251 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: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1926.239279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.239279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.239279 (E_RNA) where: Base-Base interactions energy: -1341.497 where: short stacking energy: -536.441 Base-Backbone interact. energy: -0.022 local terms energy: -584.720674 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -123.914 flat angles C4'-P-C4' energy: -128.242 flat angles P-C4'-P energy: -78.848 tors. eta vs tors. theta energy: -148.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1706.345752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.345752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.345752 (E_RNA) where: Base-Base interactions energy: -1161.620 where: short stacking energy: -500.354 Base-Backbone interact. energy: 5.290 local terms energy: -550.015956 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -115.642 flat angles C4'-P-C4' energy: -108.100 flat angles P-C4'-P energy: -83.957 tors. eta vs tors. theta energy: -141.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1562.740749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.740749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.740749 (E_RNA) where: Base-Base interactions energy: -1032.423 where: short stacking energy: -435.346 Base-Backbone interact. energy: -1.694 local terms energy: -528.623741 where: bonds (distance) C4'-P energy: -88.082 bonds (distance) P-C4' energy: -117.377 flat angles C4'-P-C4' energy: -131.260 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -115.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1484.476113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.476113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.476113 (E_RNA) where: Base-Base interactions energy: -1004.054 where: short stacking energy: -431.680 Base-Backbone interact. energy: -0.290 local terms energy: -480.131895 where: bonds (distance) C4'-P energy: -101.115 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -123.339 flat angles P-C4'-P energy: -48.250 tors. eta vs tors. theta energy: -113.884 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: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1285.950535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.950535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.950535 (E_RNA) where: Base-Base interactions energy: -832.616 where: short stacking energy: -357.702 Base-Backbone interact. energy: -0.571 local terms energy: -452.763690 where: bonds (distance) C4'-P energy: -97.456 bonds (distance) P-C4' energy: -107.973 flat angles C4'-P-C4' energy: -91.931 flat angles P-C4'-P energy: -66.007 tors. eta vs tors. theta energy: -89.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -986.773846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.773846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.773846 (E_RNA) where: Base-Base interactions energy: -596.136 where: short stacking energy: -283.117 Base-Backbone interact. energy: 0.901 local terms energy: -391.539046 where: bonds (distance) C4'-P energy: -93.308 bonds (distance) P-C4' energy: -104.576 flat angles C4'-P-C4' energy: -104.406 flat angles P-C4'-P energy: -41.777 tors. eta vs tors. theta energy: -47.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -2326.123255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.123255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.123255 (E_RNA) where: Base-Base interactions energy: -1613.488 where: short stacking energy: -678.589 Base-Backbone interact. energy: -2.172 local terms energy: -710.463186 where: bonds (distance) C4'-P energy: -127.268 bonds (distance) P-C4' energy: -127.950 flat angles C4'-P-C4' energy: -148.649 flat angles P-C4'-P energy: -98.447 tors. eta vs tors. theta energy: -208.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2197.790896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.790896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.790896 (E_RNA) where: Base-Base interactions energy: -1515.888 where: short stacking energy: -645.498 Base-Backbone interact. energy: 1.614 local terms energy: -683.517322 where: bonds (distance) C4'-P energy: -139.365 bonds (distance) P-C4' energy: -124.492 flat angles C4'-P-C4' energy: -125.513 flat angles P-C4'-P energy: -97.863 tors. eta vs tors. theta energy: -196.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2095.823800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.823800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.823800 (E_RNA) where: Base-Base interactions energy: -1461.042 where: short stacking energy: -585.690 Base-Backbone interact. energy: 0.091 local terms energy: -634.873201 where: bonds (distance) C4'-P energy: -119.209 bonds (distance) P-C4' energy: -124.274 flat angles C4'-P-C4' energy: -123.915 flat angles P-C4'-P energy: -82.216 tors. eta vs tors. theta energy: -185.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2073.559141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.559141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.559141 (E_RNA) where: Base-Base interactions energy: -1446.186 where: short stacking energy: -618.454 Base-Backbone interact. energy: -0.686 local terms energy: -626.687714 where: bonds (distance) C4'-P energy: -99.953 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -132.528 flat angles P-C4'-P energy: -86.312 tors. eta vs tors. theta energy: -187.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1940.779289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.779289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.779289 (E_RNA) where: Base-Base interactions energy: -1371.815 where: short stacking energy: -540.697 Base-Backbone interact. energy: -3.227 local terms energy: -565.738173 where: bonds (distance) C4'-P energy: -108.786 bonds (distance) P-C4' energy: -99.899 flat angles C4'-P-C4' energy: -126.623 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -146.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1724.353472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.353472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.353472 (E_RNA) where: Base-Base interactions energy: -1151.204 where: short stacking energy: -489.198 Base-Backbone interact. energy: -1.309 local terms energy: -571.841270 where: bonds (distance) C4'-P energy: -109.289 bonds (distance) P-C4' energy: -115.863 flat angles C4'-P-C4' energy: -114.525 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -145.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1563.489510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.489510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.489510 (E_RNA) where: Base-Base interactions energy: -1036.040 where: short stacking energy: -452.028 Base-Backbone interact. energy: 1.234 local terms energy: -528.684241 where: bonds (distance) C4'-P energy: -95.927 bonds (distance) P-C4' energy: -111.187 flat angles C4'-P-C4' energy: -122.298 flat angles P-C4'-P energy: -80.380 tors. eta vs tors. theta energy: -118.892 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: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1502.330898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.330898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.330898 (E_RNA) where: Base-Base interactions energy: -1024.748 where: short stacking energy: -429.368 Base-Backbone interact. energy: -1.052 local terms energy: -476.530508 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -105.744 flat angles C4'-P-C4' energy: -111.290 flat angles P-C4'-P energy: -62.962 tors. eta vs tors. theta energy: -96.907 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: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1312.196373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.196373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.196373 (E_RNA) where: Base-Base interactions energy: -837.864 where: short stacking energy: -375.762 Base-Backbone interact. energy: 1.630 local terms energy: -475.962636 where: bonds (distance) C4'-P energy: -101.898 bonds (distance) P-C4' energy: -106.042 flat angles C4'-P-C4' energy: -101.051 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -91.143 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: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -971.492946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.492946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.492946 (E_RNA) where: Base-Base interactions energy: -573.338 where: short stacking energy: -265.246 Base-Backbone interact. energy: 2.516 local terms energy: -400.670824 where: bonds (distance) C4'-P energy: -104.029 bonds (distance) P-C4' energy: -95.680 flat angles C4'-P-C4' energy: -91.654 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -45.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -2310.679000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.679000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.679000 (E_RNA) where: Base-Base interactions energy: -1614.783 where: short stacking energy: -668.509 Base-Backbone interact. energy: 1.206 local terms energy: -697.101908 where: bonds (distance) C4'-P energy: -105.260 bonds (distance) P-C4' energy: -144.665 flat angles C4'-P-C4' energy: -143.847 flat angles P-C4'-P energy: -102.254 tors. eta vs tors. theta energy: -201.076 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: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2201.158539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.158539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.158539 (E_RNA) where: Base-Base interactions energy: -1533.595 where: short stacking energy: -653.879 Base-Backbone interact. energy: -2.523 local terms energy: -665.041151 where: bonds (distance) C4'-P energy: -121.844 bonds (distance) P-C4' energy: -117.850 flat angles C4'-P-C4' energy: -128.222 flat angles P-C4'-P energy: -103.130 tors. eta vs tors. theta energy: -193.995 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: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2102.259195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.259195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.259195 (E_RNA) where: Base-Base interactions energy: -1457.959 where: short stacking energy: -603.745 Base-Backbone interact. energy: -1.389 local terms energy: -642.911195 where: bonds (distance) C4'-P energy: -116.712 bonds (distance) P-C4' energy: -120.327 flat angles C4'-P-C4' energy: -132.062 flat angles P-C4'-P energy: -93.246 tors. eta vs tors. theta energy: -180.563 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: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2093.880426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.880426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.880426 (E_RNA) where: Base-Base interactions energy: -1453.974 where: short stacking energy: -588.979 Base-Backbone interact. energy: 0.865 local terms energy: -640.771381 where: bonds (distance) C4'-P energy: -110.112 bonds (distance) P-C4' energy: -117.665 flat angles C4'-P-C4' energy: -137.436 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -176.474 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1934.289916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.289916 (E_RNA) where: Base-Base interactions energy: -1338.400 where: short stacking energy: -525.542 Base-Backbone interact. energy: -4.187 local terms energy: -591.703186 where: bonds (distance) C4'-P energy: -115.927 bonds (distance) P-C4' energy: -116.220 flat angles C4'-P-C4' energy: -122.911 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: -153.406 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: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1701.665244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.665244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.665244 (E_RNA) where: Base-Base interactions energy: -1113.349 where: short stacking energy: -473.808 Base-Backbone interact. energy: -1.831 local terms energy: -586.485764 where: bonds (distance) C4'-P energy: -113.277 bonds (distance) P-C4' energy: -117.153 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -79.629 tors. eta vs tors. theta energy: -145.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1605.088960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.088960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.088960 (E_RNA) where: Base-Base interactions energy: -1083.971 where: short stacking energy: -468.923 Base-Backbone interact. energy: -2.811 local terms energy: -518.306514 where: bonds (distance) C4'-P energy: -104.743 bonds (distance) P-C4' energy: -106.942 flat angles C4'-P-C4' energy: -104.981 flat angles P-C4'-P energy: -76.452 tors. eta vs tors. theta energy: -125.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1569.474906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.474906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.474906 (E_RNA) where: Base-Base interactions energy: -1071.689 where: short stacking energy: -467.825 Base-Backbone interact. energy: -1.802 local terms energy: -495.984641 where: bonds (distance) C4'-P energy: -87.550 bonds (distance) P-C4' energy: -94.515 flat angles C4'-P-C4' energy: -122.063 flat angles P-C4'-P energy: -70.063 tors. eta vs tors. theta energy: -121.794 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: 1 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1275.895422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.895422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.895422 (E_RNA) where: Base-Base interactions energy: -844.403 where: short stacking energy: -357.403 Base-Backbone interact. energy: 1.911 local terms energy: -433.403181 where: bonds (distance) C4'-P energy: -111.811 bonds (distance) P-C4' energy: -90.600 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -84.828 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: 224 Temperature: 1.350000 Total energy: -978.157219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.157219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.157219 (E_RNA) where: Base-Base interactions energy: -594.165 where: short stacking energy: -268.447 Base-Backbone interact. energy: 1.851 local terms energy: -385.842591 where: bonds (distance) C4'-P energy: -90.834 bonds (distance) P-C4' energy: -108.426 flat angles C4'-P-C4' energy: -95.927 flat angles P-C4'-P energy: -66.842 tors. eta vs tors. theta energy: -23.814 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: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -2295.649856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.649856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.649856 (E_RNA) where: Base-Base interactions energy: -1604.069 where: short stacking energy: -654.596 Base-Backbone interact. energy: 0.171 local terms energy: -691.752328 where: bonds (distance) C4'-P energy: -119.351 bonds (distance) P-C4' energy: -123.709 flat angles C4'-P-C4' energy: -143.418 flat angles P-C4'-P energy: -104.201 tors. eta vs tors. theta energy: -201.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2205.943878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.943878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.943878 (E_RNA) where: Base-Base interactions energy: -1524.712 where: short stacking energy: -643.513 Base-Backbone interact. energy: -3.484 local terms energy: -677.748290 where: bonds (distance) C4'-P energy: -121.969 bonds (distance) P-C4' energy: -113.629 flat angles C4'-P-C4' energy: -143.006 flat angles P-C4'-P energy: -95.078 tors. eta vs tors. theta energy: -204.066 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: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2103.970771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.970771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.970771 (E_RNA) where: Base-Base interactions energy: -1458.485 where: short stacking energy: -625.507 Base-Backbone interact. energy: -0.887 local terms energy: -644.598925 where: bonds (distance) C4'-P energy: -131.915 bonds (distance) P-C4' energy: -109.946 flat angles C4'-P-C4' energy: -132.705 flat angles P-C4'-P energy: -86.382 tors. eta vs tors. theta energy: -183.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2042.659209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.659209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.659209 (E_RNA) where: Base-Base interactions energy: -1426.374 where: short stacking energy: -601.673 Base-Backbone interact. energy: -0.700 local terms energy: -615.585184 where: bonds (distance) C4'-P energy: -102.807 bonds (distance) P-C4' energy: -120.442 flat angles C4'-P-C4' energy: -130.969 flat angles P-C4'-P energy: -85.532 tors. eta vs tors. theta energy: -175.835 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: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1946.218559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.218559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.218559 (E_RNA) where: Base-Base interactions energy: -1351.927 where: short stacking energy: -538.503 Base-Backbone interact. energy: -3.674 local terms energy: -590.617390 where: bonds (distance) C4'-P energy: -112.412 bonds (distance) P-C4' energy: -116.046 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -81.204 tors. eta vs tors. theta energy: -161.314 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: 6, replica: 3 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1692.104991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.104991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.104991 (E_RNA) where: Base-Base interactions energy: -1147.645 where: short stacking energy: -501.813 Base-Backbone interact. energy: 0.865 local terms energy: -545.324982 where: bonds (distance) C4'-P energy: -102.204 bonds (distance) P-C4' energy: -112.304 flat angles C4'-P-C4' energy: -115.562 flat angles P-C4'-P energy: -73.405 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: 7, replica: 5 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1588.573506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.573506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.573506 (E_RNA) where: Base-Base interactions energy: -1064.205 where: short stacking energy: -427.807 Base-Backbone interact. energy: 0.578 local terms energy: -524.946779 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -108.141 flat angles C4'-P-C4' energy: -111.693 flat angles P-C4'-P energy: -82.197 tors. eta vs tors. theta energy: -108.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1522.735117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.735117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.735117 (E_RNA) where: Base-Base interactions energy: -1026.692 where: short stacking energy: -443.942 Base-Backbone interact. energy: -1.006 local terms energy: -495.037254 where: bonds (distance) C4'-P energy: -105.024 bonds (distance) P-C4' energy: -112.093 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -62.570 tors. eta vs tors. theta energy: -118.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1298.604444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.604444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.604444 (E_RNA) where: Base-Base interactions energy: -838.853 where: short stacking energy: -342.306 Base-Backbone interact. energy: -0.557 local terms energy: -459.194805 where: bonds (distance) C4'-P energy: -86.553 bonds (distance) P-C4' energy: -107.937 flat angles C4'-P-C4' energy: -111.412 flat angles P-C4'-P energy: -70.868 tors. eta vs tors. theta energy: -82.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -962.380209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.380209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.380209 (E_RNA) where: Base-Base interactions energy: -578.935 where: short stacking energy: -268.876 Base-Backbone interact. energy: -2.085 local terms energy: -381.360222 where: bonds (distance) C4'-P energy: -102.217 bonds (distance) P-C4' energy: -112.129 flat angles C4'-P-C4' energy: -103.836 flat angles P-C4'-P energy: -34.716 tors. eta vs tors. theta energy: -28.463 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: 226 Temperature: 0.900000 Total energy: -2282.368952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.368952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.368952 (E_RNA) where: Base-Base interactions energy: -1594.861 where: short stacking energy: -670.921 Base-Backbone interact. energy: -1.994 local terms energy: -685.514456 where: bonds (distance) C4'-P energy: -104.976 bonds (distance) P-C4' energy: -126.180 flat angles C4'-P-C4' energy: -147.282 flat angles P-C4'-P energy: -103.588 tors. eta vs tors. theta energy: -203.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2220.261077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.261077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.261077 (E_RNA) where: Base-Base interactions energy: -1522.411 where: short stacking energy: -657.379 Base-Backbone interact. energy: -3.448 local terms energy: -694.401855 where: bonds (distance) C4'-P energy: -118.463 bonds (distance) P-C4' energy: -114.185 flat angles C4'-P-C4' energy: -149.596 flat angles P-C4'-P energy: -103.290 tors. eta vs tors. theta energy: -208.869 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: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2127.416151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.416151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.416151 (E_RNA) where: Base-Base interactions energy: -1463.336 where: short stacking energy: -629.817 Base-Backbone interact. energy: -1.794 local terms energy: -662.285882 where: bonds (distance) C4'-P energy: -127.683 bonds (distance) P-C4' energy: -104.220 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -102.105 tors. eta vs tors. theta energy: -190.519 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: 226 Temperature: 1.050000 Total energy: -2015.568353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.568353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.568353 (E_RNA) where: Base-Base interactions energy: -1404.320 where: short stacking energy: -585.415 Base-Backbone interact. energy: -0.326 local terms energy: -610.922461 where: bonds (distance) C4'-P energy: -114.724 bonds (distance) P-C4' energy: -108.711 flat angles C4'-P-C4' energy: -123.885 flat angles P-C4'-P energy: -96.091 tors. eta vs tors. theta energy: -167.512 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1917.413862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.413862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.413862 (E_RNA) where: Base-Base interactions energy: -1359.612 where: short stacking energy: -519.667 Base-Backbone interact. energy: -1.712 local terms energy: -556.089282 where: bonds (distance) C4'-P energy: -96.075 bonds (distance) P-C4' energy: -111.844 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -95.701 tors. eta vs tors. theta energy: -139.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1699.018446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.018446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.018446 (E_RNA) where: Base-Base interactions energy: -1165.427 where: short stacking energy: -487.620 Base-Backbone interact. energy: -0.658 local terms energy: -532.933414 where: bonds (distance) C4'-P energy: -99.738 bonds (distance) P-C4' energy: -108.129 flat angles C4'-P-C4' energy: -127.047 flat angles P-C4'-P energy: -69.533 tors. eta vs tors. theta energy: -128.486 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: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1532.164197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.164197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.164197 (E_RNA) where: Base-Base interactions energy: -1017.800 where: short stacking energy: -431.222 Base-Backbone interact. energy: -1.408 local terms energy: -512.956218 where: bonds (distance) C4'-P energy: -98.757 bonds (distance) P-C4' energy: -114.202 flat angles C4'-P-C4' energy: -114.996 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -108.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1520.850711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.850711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.850711 (E_RNA) where: Base-Base interactions energy: -1026.636 where: short stacking energy: -444.939 Base-Backbone interact. energy: 5.057 local terms energy: -499.271454 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -103.047 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -69.345 tors. eta vs tors. theta energy: -119.210 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: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1282.961199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.961199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.961199 (E_RNA) where: Base-Base interactions energy: -845.649 where: short stacking energy: -347.995 Base-Backbone interact. energy: -0.986 local terms energy: -436.326037 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -96.889 flat angles C4'-P-C4' energy: -103.587 flat angles P-C4'-P energy: -72.198 tors. eta vs tors. theta energy: -64.823 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: 226 Temperature: 1.350000 Total energy: -972.769176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.769176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.769176 (E_RNA) where: Base-Base interactions energy: -602.569 where: short stacking energy: -277.012 Base-Backbone interact. energy: 0.959 local terms energy: -371.159176 where: bonds (distance) C4'-P energy: -94.027 bonds (distance) P-C4' energy: -78.607 flat angles C4'-P-C4' energy: -98.324 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -45.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -2283.173382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.173382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.173382 (E_RNA) where: Base-Base interactions energy: -1606.929 where: short stacking energy: -662.740 Base-Backbone interact. energy: -0.882 local terms energy: -675.362039 where: bonds (distance) C4'-P energy: -109.699 bonds (distance) P-C4' energy: -117.073 flat angles C4'-P-C4' energy: -152.978 flat angles P-C4'-P energy: -98.121 tors. eta vs tors. theta energy: -197.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2197.617090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.617090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.617090 (E_RNA) where: Base-Base interactions energy: -1526.994 where: short stacking energy: -655.327 Base-Backbone interact. energy: -1.888 local terms energy: -668.735628 where: bonds (distance) C4'-P energy: -114.403 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -136.706 flat angles P-C4'-P energy: -92.686 tors. eta vs tors. theta energy: -205.212 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: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2154.748289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.748289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.748289 (E_RNA) where: Base-Base interactions energy: -1505.715 where: short stacking energy: -624.500 Base-Backbone interact. energy: -2.086 local terms energy: -646.947705 where: bonds (distance) C4'-P energy: -112.707 bonds (distance) P-C4' energy: -114.685 flat angles C4'-P-C4' energy: -140.761 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -186.397 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: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2059.286792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.286792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.286792 (E_RNA) where: Base-Base interactions energy: -1433.250 where: short stacking energy: -597.658 Base-Backbone interact. energy: -2.079 local terms energy: -623.957982 where: bonds (distance) C4'-P energy: -101.069 bonds (distance) P-C4' energy: -120.640 flat angles C4'-P-C4' energy: -133.305 flat angles P-C4'-P energy: -85.608 tors. eta vs tors. theta energy: -183.336 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1906.615440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.615440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.615440 (E_RNA) where: Base-Base interactions energy: -1343.943 where: short stacking energy: -528.884 Base-Backbone interact. energy: 0.926 local terms energy: -563.598655 where: bonds (distance) C4'-P energy: -102.995 bonds (distance) P-C4' energy: -111.961 flat angles C4'-P-C4' energy: -112.831 flat angles P-C4'-P energy: -77.658 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: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1721.018903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.018903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.018903 (E_RNA) where: Base-Base interactions energy: -1157.558 where: short stacking energy: -463.012 Base-Backbone interact. energy: -1.527 local terms energy: -561.933958 where: bonds (distance) C4'-P energy: -101.185 bonds (distance) P-C4' energy: -114.887 flat angles C4'-P-C4' energy: -119.566 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -135.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1530.245174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.245174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.245174 (E_RNA) where: Base-Base interactions energy: -1019.972 where: short stacking energy: -424.014 Base-Backbone interact. energy: -0.318 local terms energy: -509.955523 where: bonds (distance) C4'-P energy: -94.461 bonds (distance) P-C4' energy: -111.170 flat angles C4'-P-C4' energy: -113.963 flat angles P-C4'-P energy: -80.401 tors. eta vs tors. theta energy: -109.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1576.576857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.576857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.576857 (E_RNA) where: Base-Base interactions energy: -1092.820 where: short stacking energy: -460.171 Base-Backbone interact. energy: -1.457 local terms energy: -482.300533 where: bonds (distance) C4'-P energy: -107.037 bonds (distance) P-C4' energy: -90.840 flat angles C4'-P-C4' energy: -97.656 flat angles P-C4'-P energy: -77.044 tors. eta vs tors. theta energy: -109.722 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: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1278.163302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.163302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.163302 (E_RNA) where: Base-Base interactions energy: -819.432 where: short stacking energy: -349.280 Base-Backbone interact. energy: -0.085 local terms energy: -458.646723 where: bonds (distance) C4'-P energy: -99.607 bonds (distance) P-C4' energy: -106.793 flat angles C4'-P-C4' energy: -108.387 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -69.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -977.047115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.047115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.047115 (E_RNA) where: Base-Base interactions energy: -592.480 where: short stacking energy: -287.475 Base-Backbone interact. energy: 1.953 local terms energy: -386.519726 where: bonds (distance) C4'-P energy: -81.206 bonds (distance) P-C4' energy: -103.278 flat angles C4'-P-C4' energy: -96.156 flat angles P-C4'-P energy: -58.315 tors. eta vs tors. theta energy: -47.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -2295.194820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.194820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.194820 (E_RNA) where: Base-Base interactions energy: -1598.750 where: short stacking energy: -658.314 Base-Backbone interact. energy: -0.287 local terms energy: -696.157241 where: bonds (distance) C4'-P energy: -124.383 bonds (distance) P-C4' energy: -120.509 flat angles C4'-P-C4' energy: -147.557 flat angles P-C4'-P energy: -96.388 tors. eta vs tors. theta energy: -207.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2206.330875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.330875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.330875 (E_RNA) where: Base-Base interactions energy: -1523.125 where: short stacking energy: -621.379 Base-Backbone interact. energy: 0.075 local terms energy: -683.281118 where: bonds (distance) C4'-P energy: -122.530 bonds (distance) P-C4' energy: -126.953 flat angles C4'-P-C4' energy: -140.103 flat angles P-C4'-P energy: -100.507 tors. eta vs tors. theta energy: -193.188 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: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2105.664583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.664583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.664583 (E_RNA) where: Base-Base interactions energy: -1429.562 where: short stacking energy: -604.655 Base-Backbone interact. energy: -0.328 local terms energy: -675.774642 where: bonds (distance) C4'-P energy: -129.243 bonds (distance) P-C4' energy: -124.603 flat angles C4'-P-C4' energy: -135.056 flat angles P-C4'-P energy: -102.051 tors. eta vs tors. theta energy: -184.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2036.497942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.497942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.497942 (E_RNA) where: Base-Base interactions energy: -1385.045 where: short stacking energy: -571.309 Base-Backbone interact. energy: -0.026 local terms energy: -651.426644 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -120.333 flat angles C4'-P-C4' energy: -136.201 flat angles P-C4'-P energy: -95.184 tors. eta vs tors. theta energy: -176.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1896.217685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.217685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.217685 (E_RNA) where: Base-Base interactions energy: -1317.319 where: short stacking energy: -526.676 Base-Backbone interact. energy: -2.759 local terms energy: -576.139272 where: bonds (distance) C4'-P energy: -108.224 bonds (distance) P-C4' energy: -118.638 flat angles C4'-P-C4' energy: -127.504 flat angles P-C4'-P energy: -69.995 tors. eta vs tors. theta energy: -151.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1723.737297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.737297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.737297 (E_RNA) where: Base-Base interactions energy: -1158.722 where: short stacking energy: -488.493 Base-Backbone interact. energy: 1.315 local terms energy: -566.330023 where: bonds (distance) C4'-P energy: -92.163 bonds (distance) P-C4' energy: -108.496 flat angles C4'-P-C4' energy: -136.750 flat angles P-C4'-P energy: -77.472 tors. eta vs tors. theta energy: -151.449 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: 228 Temperature: 1.200000 Total energy: -1554.260561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.260561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.260561 (E_RNA) where: Base-Base interactions energy: -1035.324 where: short stacking energy: -458.197 Base-Backbone interact. energy: 0.068 local terms energy: -519.004599 where: bonds (distance) C4'-P energy: -120.950 bonds (distance) P-C4' energy: -103.960 flat angles C4'-P-C4' energy: -113.225 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -118.706 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: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1522.161160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.161160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.161160 (E_RNA) where: Base-Base interactions energy: -1015.730 where: short stacking energy: -428.025 Base-Backbone interact. energy: -1.452 local terms energy: -504.979112 where: bonds (distance) C4'-P energy: -100.284 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -126.884 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: -119.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1342.313172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.313172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.313172 (E_RNA) where: Base-Base interactions energy: -884.313 where: short stacking energy: -394.736 Base-Backbone interact. energy: -1.907 local terms energy: -456.093155 where: bonds (distance) C4'-P energy: -108.354 bonds (distance) P-C4' energy: -101.742 flat angles C4'-P-C4' energy: -111.374 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -82.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -978.041108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.041108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.041108 (E_RNA) where: Base-Base interactions energy: -594.139 where: short stacking energy: -274.263 Base-Backbone interact. energy: 0.978 local terms energy: -384.880693 where: bonds (distance) C4'-P energy: -90.494 bonds (distance) P-C4' energy: -123.543 flat angles C4'-P-C4' energy: -87.730 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -34.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -2281.281759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.281759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.281759 (E_RNA) where: Base-Base interactions energy: -1577.488 where: short stacking energy: -669.112 Base-Backbone interact. energy: -0.841 local terms energy: -702.952867 where: bonds (distance) C4'-P energy: -131.590 bonds (distance) P-C4' energy: -122.125 flat angles C4'-P-C4' energy: -140.881 flat angles P-C4'-P energy: -103.452 tors. eta vs tors. theta energy: -204.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2221.971539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.971539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.971539 (E_RNA) where: Base-Base interactions energy: -1549.625 where: short stacking energy: -647.378 Base-Backbone interact. energy: 1.252 local terms energy: -673.598727 where: bonds (distance) C4'-P energy: -104.231 bonds (distance) P-C4' energy: -140.124 flat angles C4'-P-C4' energy: -142.018 flat angles P-C4'-P energy: -88.292 tors. eta vs tors. theta energy: -198.934 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: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2107.011934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.011934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.011934 (E_RNA) where: Base-Base interactions energy: -1467.862 where: short stacking energy: -609.561 Base-Backbone interact. energy: 1.828 local terms energy: -640.977698 where: bonds (distance) C4'-P energy: -109.373 bonds (distance) P-C4' energy: -112.911 flat angles C4'-P-C4' energy: -137.334 flat angles P-C4'-P energy: -93.468 tors. eta vs tors. theta energy: -187.892 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: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2021.682646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.682646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.682646 (E_RNA) where: Base-Base interactions energy: -1390.470 where: short stacking energy: -572.108 Base-Backbone interact. energy: 0.129 local terms energy: -631.340936 where: bonds (distance) C4'-P energy: -114.606 bonds (distance) P-C4' energy: -116.203 flat angles C4'-P-C4' energy: -135.557 flat angles P-C4'-P energy: -88.176 tors. eta vs tors. theta energy: -176.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1898.214515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.214515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.214515 (E_RNA) where: Base-Base interactions energy: -1350.622 where: short stacking energy: -527.217 Base-Backbone interact. energy: 2.272 local terms energy: -549.865283 where: bonds (distance) C4'-P energy: -99.124 bonds (distance) P-C4' energy: -112.091 flat angles C4'-P-C4' energy: -131.757 flat angles P-C4'-P energy: -56.662 tors. eta vs tors. theta energy: -150.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1698.285194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.285194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.285194 (E_RNA) where: Base-Base interactions energy: -1154.415 where: short stacking energy: -480.769 Base-Backbone interact. energy: -1.033 local terms energy: -542.838011 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -100.804 flat angles C4'-P-C4' energy: -111.558 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: -147.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1501.381933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.381933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.381933 (E_RNA) where: Base-Base interactions energy: -1009.260 where: short stacking energy: -418.145 Base-Backbone interact. energy: 0.508 local terms energy: -492.629967 where: bonds (distance) C4'-P energy: -78.680 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -124.828 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -102.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1518.342960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.342960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.342960 (E_RNA) where: Base-Base interactions energy: -1000.445 where: short stacking energy: -419.023 Base-Backbone interact. energy: -3.442 local terms energy: -514.456438 where: bonds (distance) C4'-P energy: -102.930 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -120.770 flat angles P-C4'-P energy: -86.310 tors. eta vs tors. theta energy: -112.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1311.916409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.916409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.916409 (E_RNA) where: Base-Base interactions energy: -849.777 where: short stacking energy: -366.148 Base-Backbone interact. energy: -0.062 local terms energy: -462.078017 where: bonds (distance) C4'-P energy: -115.268 bonds (distance) P-C4' energy: -106.172 flat angles C4'-P-C4' energy: -99.786 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -83.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -921.443780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.443780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.443780 (E_RNA) where: Base-Base interactions energy: -554.312 where: short stacking energy: -250.381 Base-Backbone interact. energy: 1.499 local terms energy: -368.631146 where: bonds (distance) C4'-P energy: -82.110 bonds (distance) P-C4' energy: -110.470 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -60.801 tors. eta vs tors. theta energy: -41.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -2314.406221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.406221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.406221 (E_RNA) where: Base-Base interactions energy: -1625.163 where: short stacking energy: -675.331 Base-Backbone interact. energy: -1.044 local terms energy: -688.199195 where: bonds (distance) C4'-P energy: -131.787 bonds (distance) P-C4' energy: -107.822 flat angles C4'-P-C4' energy: -138.036 flat angles P-C4'-P energy: -105.008 tors. eta vs tors. theta energy: -205.546 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2182.952339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.952339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.952339 (E_RNA) where: Base-Base interactions energy: -1530.569 where: short stacking energy: -614.577 Base-Backbone interact. energy: -1.007 local terms energy: -651.375767 where: bonds (distance) C4'-P energy: -106.575 bonds (distance) P-C4' energy: -139.161 flat angles C4'-P-C4' energy: -121.053 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -195.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2089.834808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.834808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.834808 (E_RNA) where: Base-Base interactions energy: -1459.123 where: short stacking energy: -614.164 Base-Backbone interact. energy: -0.717 local terms energy: -629.994287 where: bonds (distance) C4'-P energy: -104.652 bonds (distance) P-C4' energy: -118.751 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -82.746 tors. eta vs tors. theta energy: -180.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2034.324505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.324505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.324505 (E_RNA) where: Base-Base interactions energy: -1412.017 where: short stacking energy: -578.464 Base-Backbone interact. energy: 1.537 local terms energy: -623.844470 where: bonds (distance) C4'-P energy: -95.834 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -131.922 flat angles P-C4'-P energy: -89.882 tors. eta vs tors. theta energy: -177.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1906.302054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.302054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.302054 (E_RNA) where: Base-Base interactions energy: -1312.276 where: short stacking energy: -514.363 Base-Backbone interact. energy: -2.643 local terms energy: -591.383372 where: bonds (distance) C4'-P energy: -107.159 bonds (distance) P-C4' energy: -114.432 flat angles C4'-P-C4' energy: -126.397 flat angles P-C4'-P energy: -94.747 tors. eta vs tors. theta energy: -148.648 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: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1709.343215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.343215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.343215 (E_RNA) where: Base-Base interactions energy: -1183.588 where: short stacking energy: -484.639 Base-Backbone interact. energy: -0.565 local terms energy: -525.190261 where: bonds (distance) C4'-P energy: -92.534 bonds (distance) P-C4' energy: -105.661 flat angles C4'-P-C4' energy: -125.194 flat angles P-C4'-P energy: -76.965 tors. eta vs tors. theta energy: -124.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1529.331571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.331571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.331571 (E_RNA) where: Base-Base interactions energy: -1030.170 where: short stacking energy: -441.645 Base-Backbone interact. energy: 1.755 local terms energy: -500.916164 where: bonds (distance) C4'-P energy: -98.081 bonds (distance) P-C4' energy: -104.761 flat angles C4'-P-C4' energy: -119.952 flat angles P-C4'-P energy: -71.072 tors. eta vs tors. theta energy: -107.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1464.392902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.392902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.392902 (E_RNA) where: Base-Base interactions energy: -954.480 where: short stacking energy: -422.698 Base-Backbone interact. energy: 2.251 local terms energy: -512.163440 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -109.420 flat angles C4'-P-C4' energy: -108.718 flat angles P-C4'-P energy: -82.044 tors. eta vs tors. theta energy: -112.512 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: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1289.106087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.106087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.106087 (E_RNA) where: Base-Base interactions energy: -827.991 where: short stacking energy: -368.276 Base-Backbone interact. energy: 1.397 local terms energy: -462.512180 where: bonds (distance) C4'-P energy: -98.788 bonds (distance) P-C4' energy: -106.171 flat angles C4'-P-C4' energy: -109.956 flat angles P-C4'-P energy: -67.256 tors. eta vs tors. theta energy: -80.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -889.875594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.875594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.875594 (E_RNA) where: Base-Base interactions energy: -511.910 where: short stacking energy: -244.656 Base-Backbone interact. energy: 0.879 local terms energy: -378.845043 where: bonds (distance) C4'-P energy: -83.464 bonds (distance) P-C4' energy: -95.671 flat angles C4'-P-C4' energy: -99.400 flat angles P-C4'-P energy: -62.048 tors. eta vs tors. theta energy: -38.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -2308.447769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.447769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.447769 (E_RNA) where: Base-Base interactions energy: -1598.190 where: short stacking energy: -670.687 Base-Backbone interact. energy: -0.440 local terms energy: -709.818456 where: bonds (distance) C4'-P energy: -125.677 bonds (distance) P-C4' energy: -132.650 flat angles C4'-P-C4' energy: -142.705 flat angles P-C4'-P energy: -103.595 tors. eta vs tors. theta energy: -205.193 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: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2184.350135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.350135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.350135 (E_RNA) where: Base-Base interactions energy: -1526.137 where: short stacking energy: -630.287 Base-Backbone interact. energy: -0.256 local terms energy: -657.957501 where: bonds (distance) C4'-P energy: -114.708 bonds (distance) P-C4' energy: -119.416 flat angles C4'-P-C4' energy: -134.025 flat angles P-C4'-P energy: -98.694 tors. eta vs tors. theta energy: -191.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2132.291068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.291068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.291068 (E_RNA) where: Base-Base interactions energy: -1478.431 where: short stacking energy: -605.124 Base-Backbone interact. energy: -3.238 local terms energy: -650.622345 where: bonds (distance) C4'-P energy: -114.053 bonds (distance) P-C4' energy: -121.313 flat angles C4'-P-C4' energy: -136.116 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -193.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2089.016228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.016228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.016228 (E_RNA) where: Base-Base interactions energy: -1439.098 where: short stacking energy: -611.815 Base-Backbone interact. energy: -0.138 local terms energy: -649.780501 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -109.889 flat angles C4'-P-C4' energy: -141.236 flat angles P-C4'-P energy: -83.019 tors. eta vs tors. theta energy: -192.651 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: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1879.351460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.351460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.351460 (E_RNA) where: Base-Base interactions energy: -1318.136 where: short stacking energy: -498.676 Base-Backbone interact. energy: -2.369 local terms energy: -558.846884 where: bonds (distance) C4'-P energy: -109.649 bonds (distance) P-C4' energy: -98.758 flat angles C4'-P-C4' energy: -126.048 flat angles P-C4'-P energy: -85.556 tors. eta vs tors. theta energy: -138.836 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: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1774.008507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.008507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.008507 (E_RNA) where: Base-Base interactions energy: -1218.976 where: short stacking energy: -503.968 Base-Backbone interact. energy: 4.210 local terms energy: -559.242608 where: bonds (distance) C4'-P energy: -105.682 bonds (distance) P-C4' energy: -102.300 flat angles C4'-P-C4' energy: -115.561 flat angles P-C4'-P energy: -72.390 tors. eta vs tors. theta energy: -163.309 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: 4 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1549.270461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.270461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.270461 (E_RNA) where: Base-Base interactions energy: -1040.314 where: short stacking energy: -472.731 Base-Backbone interact. energy: 1.086 local terms energy: -510.042201 where: bonds (distance) C4'-P energy: -117.707 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -116.632 flat angles P-C4'-P energy: -72.859 tors. eta vs tors. theta energy: -106.111 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: 231 Temperature: 1.250000 Total energy: -1488.918424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.918424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.918424 (E_RNA) where: Base-Base interactions energy: -967.220 where: short stacking energy: -424.754 Base-Backbone interact. energy: -1.671 local terms energy: -520.027322 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -104.299 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -123.545 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: 9, replica: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1309.037079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.037079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.037079 (E_RNA) where: Base-Base interactions energy: -844.002 where: short stacking energy: -371.802 Base-Backbone interact. energy: 5.958 local terms energy: -470.992979 where: bonds (distance) C4'-P energy: -102.631 bonds (distance) P-C4' energy: -101.913 flat angles C4'-P-C4' energy: -107.041 flat angles P-C4'-P energy: -70.780 tors. eta vs tors. theta energy: -88.628 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: 231 Temperature: 1.350000 Total energy: -908.971099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.971099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.971099 (E_RNA) where: Base-Base interactions energy: -505.058 where: short stacking energy: -245.128 Base-Backbone interact. energy: 0.317 local terms energy: -404.229793 where: bonds (distance) C4'-P energy: -106.322 bonds (distance) P-C4' energy: -94.780 flat angles C4'-P-C4' energy: -92.038 flat angles P-C4'-P energy: -79.138 tors. eta vs tors. theta energy: -31.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -2280.703766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.703766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.703766 (E_RNA) where: Base-Base interactions energy: -1588.199 where: short stacking energy: -651.098 Base-Backbone interact. energy: -1.634 local terms energy: -690.870645 where: bonds (distance) C4'-P energy: -129.382 bonds (distance) P-C4' energy: -126.120 flat angles C4'-P-C4' energy: -135.215 flat angles P-C4'-P energy: -96.375 tors. eta vs tors. theta energy: -203.779 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: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2196.961126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.961126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.961126 (E_RNA) where: Base-Base interactions energy: -1545.130 where: short stacking energy: -630.293 Base-Backbone interact. energy: -2.490 local terms energy: -649.340999 where: bonds (distance) C4'-P energy: -101.345 bonds (distance) P-C4' energy: -117.137 flat angles C4'-P-C4' energy: -140.588 flat angles P-C4'-P energy: -90.709 tors. eta vs tors. theta energy: -199.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2093.944171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.944171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.944171 (E_RNA) where: Base-Base interactions energy: -1441.016 where: short stacking energy: -605.802 Base-Backbone interact. energy: -1.764 local terms energy: -651.164216 where: bonds (distance) C4'-P energy: -103.608 bonds (distance) P-C4' energy: -133.561 flat angles C4'-P-C4' energy: -133.859 flat angles P-C4'-P energy: -97.408 tors. eta vs tors. theta energy: -182.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2043.569103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.569103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.569103 (E_RNA) where: Base-Base interactions energy: -1412.225 where: short stacking energy: -583.569 Base-Backbone interact. energy: 0.392 local terms energy: -631.736746 where: bonds (distance) C4'-P energy: -102.556 bonds (distance) P-C4' energy: -119.366 flat angles C4'-P-C4' energy: -137.972 flat angles P-C4'-P energy: -91.655 tors. eta vs tors. theta energy: -180.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1913.323596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.323596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.323596 (E_RNA) where: Base-Base interactions energy: -1337.838 where: short stacking energy: -512.729 Base-Backbone interact. energy: -2.286 local terms energy: -573.199841 where: bonds (distance) C4'-P energy: -108.121 bonds (distance) P-C4' energy: -115.391 flat angles C4'-P-C4' energy: -120.817 flat angles P-C4'-P energy: -73.214 tors. eta vs tors. theta energy: -155.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1777.137199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.137199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.137199 (E_RNA) where: Base-Base interactions energy: -1190.382 where: short stacking energy: -512.535 Base-Backbone interact. energy: -2.045 local terms energy: -584.710121 where: bonds (distance) C4'-P energy: -114.840 bonds (distance) P-C4' energy: -112.277 flat angles C4'-P-C4' energy: -125.018 flat angles P-C4'-P energy: -84.964 tors. eta vs tors. theta energy: -147.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1521.769205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.769205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.769205 (E_RNA) where: Base-Base interactions energy: -1019.044 where: short stacking energy: -457.575 Base-Backbone interact. energy: -1.889 local terms energy: -500.836091 where: bonds (distance) C4'-P energy: -103.097 bonds (distance) P-C4' energy: -117.933 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -54.727 tors. eta vs tors. theta energy: -112.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1448.458840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.458840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.458840 (E_RNA) where: Base-Base interactions energy: -971.054 where: short stacking energy: -383.917 Base-Backbone interact. energy: -1.534 local terms energy: -475.870304 where: bonds (distance) C4'-P energy: -84.221 bonds (distance) P-C4' energy: -102.804 flat angles C4'-P-C4' energy: -131.386 flat angles P-C4'-P energy: -62.622 tors. eta vs tors. theta energy: -94.837 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1272.785968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.785968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.785968 (E_RNA) where: Base-Base interactions energy: -835.871 where: short stacking energy: -360.595 Base-Backbone interact. energy: 1.313 local terms energy: -438.228066 where: bonds (distance) C4'-P energy: -95.502 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -101.031 flat angles P-C4'-P energy: -59.253 tors. eta vs tors. theta energy: -93.473 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: 7 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -900.314782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.314782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.314782 (E_RNA) where: Base-Base interactions energy: -523.866 where: short stacking energy: -260.749 Base-Backbone interact. energy: -2.864 local terms energy: -373.584492 where: bonds (distance) C4'-P energy: -106.181 bonds (distance) P-C4' energy: -86.481 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: -30.304 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: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -2309.947824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.947824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.947824 (E_RNA) where: Base-Base interactions energy: -1611.979 where: short stacking energy: -671.242 Base-Backbone interact. energy: -0.650 local terms energy: -697.318264 where: bonds (distance) C4'-P energy: -114.395 bonds (distance) P-C4' energy: -129.312 flat angles C4'-P-C4' energy: -154.791 flat angles P-C4'-P energy: -103.036 tors. eta vs tors. theta energy: -195.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2208.627173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.627173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.627173 (E_RNA) where: Base-Base interactions energy: -1539.434 where: short stacking energy: -634.734 Base-Backbone interact. energy: -2.301 local terms energy: -666.892822 where: bonds (distance) C4'-P energy: -121.770 bonds (distance) P-C4' energy: -119.720 flat angles C4'-P-C4' energy: -140.234 flat angles P-C4'-P energy: -89.661 tors. eta vs tors. theta energy: -195.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2106.368751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.368751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.368751 (E_RNA) where: Base-Base interactions energy: -1461.226 where: short stacking energy: -587.283 Base-Backbone interact. energy: -0.671 local terms energy: -644.471756 where: bonds (distance) C4'-P energy: -116.880 bonds (distance) P-C4' energy: -124.748 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -94.669 tors. eta vs tors. theta energy: -175.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2047.801326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.801326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.801326 (E_RNA) where: Base-Base interactions energy: -1427.039 where: short stacking energy: -593.005 Base-Backbone interact. energy: -2.691 local terms energy: -618.071764 where: bonds (distance) C4'-P energy: -121.146 bonds (distance) P-C4' energy: -109.701 flat angles C4'-P-C4' energy: -127.610 flat angles P-C4'-P energy: -81.325 tors. eta vs tors. theta energy: -178.290 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: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1909.331877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.331877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.331877 (E_RNA) where: Base-Base interactions energy: -1343.297 where: short stacking energy: -541.481 Base-Backbone interact. energy: -3.037 local terms energy: -562.998439 where: bonds (distance) C4'-P energy: -90.166 bonds (distance) P-C4' energy: -112.233 flat angles C4'-P-C4' energy: -124.565 flat angles P-C4'-P energy: -78.434 tors. eta vs tors. theta energy: -157.600 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: 6, replica: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1779.316865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.316865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.316865 (E_RNA) where: Base-Base interactions energy: -1196.683 where: short stacking energy: -509.672 Base-Backbone interact. energy: 2.742 local terms energy: -585.376032 where: bonds (distance) C4'-P energy: -115.797 bonds (distance) P-C4' energy: -107.562 flat angles C4'-P-C4' energy: -133.924 flat angles P-C4'-P energy: -86.784 tors. eta vs tors. theta energy: -141.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1582.273583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.273583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.273583 (E_RNA) where: Base-Base interactions energy: -1037.290 where: short stacking energy: -465.926 Base-Backbone interact. energy: -0.585 local terms energy: -544.398289 where: bonds (distance) C4'-P energy: -106.144 bonds (distance) P-C4' energy: -117.617 flat angles C4'-P-C4' energy: -112.206 flat angles P-C4'-P energy: -88.157 tors. eta vs tors. theta energy: -120.274 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: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1441.625353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.625353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.625353 (E_RNA) where: Base-Base interactions energy: -959.902 where: short stacking energy: -384.687 Base-Backbone interact. energy: 0.303 local terms energy: -482.026225 where: bonds (distance) C4'-P energy: -117.737 bonds (distance) P-C4' energy: -101.847 flat angles C4'-P-C4' energy: -111.260 flat angles P-C4'-P energy: -72.208 tors. eta vs tors. theta energy: -78.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1246.894154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.894154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.894154 (E_RNA) where: Base-Base interactions energy: -813.518 where: short stacking energy: -364.084 Base-Backbone interact. energy: 0.424 local terms energy: -433.800107 where: bonds (distance) C4'-P energy: -97.846 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -84.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -915.395587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.395587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.395587 (E_RNA) where: Base-Base interactions energy: -537.001 where: short stacking energy: -254.544 Base-Backbone interact. energy: -2.720 local terms energy: -375.674740 where: bonds (distance) C4'-P energy: -96.943 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -94.130 flat angles P-C4'-P energy: -62.509 tors. eta vs tors. theta energy: -37.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -2299.446050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.446050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.446050 (E_RNA) where: Base-Base interactions energy: -1587.833 where: short stacking energy: -650.113 Base-Backbone interact. energy: -0.520 local terms energy: -711.092813 where: bonds (distance) C4'-P energy: -136.857 bonds (distance) P-C4' energy: -123.856 flat angles C4'-P-C4' energy: -143.273 flat angles P-C4'-P energy: -107.583 tors. eta vs tors. theta energy: -199.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2195.350691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.350691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.350691 (E_RNA) where: Base-Base interactions energy: -1529.191 where: short stacking energy: -605.581 Base-Backbone interact. energy: -3.033 local terms energy: -663.126644 where: bonds (distance) C4'-P energy: -112.838 bonds (distance) P-C4' energy: -119.530 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -103.670 tors. eta vs tors. theta energy: -191.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2103.620785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.620785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.620785 (E_RNA) where: Base-Base interactions energy: -1468.084 where: short stacking energy: -605.013 Base-Backbone interact. energy: -2.313 local terms energy: -633.223757 where: bonds (distance) C4'-P energy: -107.321 bonds (distance) P-C4' energy: -112.693 flat angles C4'-P-C4' energy: -133.746 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -186.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2056.490427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.490427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.490427 (E_RNA) where: Base-Base interactions energy: -1423.115 where: short stacking energy: -607.398 Base-Backbone interact. energy: -1.208 local terms energy: -632.167143 where: bonds (distance) C4'-P energy: -111.531 bonds (distance) P-C4' energy: -117.838 flat angles C4'-P-C4' energy: -136.115 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -184.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1888.060432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.060432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.060432 (E_RNA) where: Base-Base interactions energy: -1302.641 where: short stacking energy: -538.145 Base-Backbone interact. energy: -3.174 local terms energy: -582.245033 where: bonds (distance) C4'-P energy: -111.339 bonds (distance) P-C4' energy: -115.896 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -82.716 tors. eta vs tors. theta energy: -152.252 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: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1704.839773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.839773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.839773 (E_RNA) where: Base-Base interactions energy: -1142.893 where: short stacking energy: -477.443 Base-Backbone interact. energy: -1.690 local terms energy: -560.256203 where: bonds (distance) C4'-P energy: -98.222 bonds (distance) P-C4' energy: -103.929 flat angles C4'-P-C4' energy: -129.528 flat angles P-C4'-P energy: -81.419 tors. eta vs tors. theta energy: -147.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1573.475654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.475654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.475654 (E_RNA) where: Base-Base interactions energy: -1032.043 where: short stacking energy: -439.923 Base-Backbone interact. energy: 1.076 local terms energy: -542.508750 where: bonds (distance) C4'-P energy: -97.085 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -126.698 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -118.004 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: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1384.675496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.675496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.675496 (E_RNA) where: Base-Base interactions energy: -903.869 where: short stacking energy: -399.339 Base-Backbone interact. energy: -1.243 local terms energy: -479.562833 where: bonds (distance) C4'-P energy: -101.288 bonds (distance) P-C4' energy: -103.154 flat angles C4'-P-C4' energy: -91.123 flat angles P-C4'-P energy: -72.737 tors. eta vs tors. theta energy: -111.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1208.161905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.161905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.161905 (E_RNA) where: Base-Base interactions energy: -742.149 where: short stacking energy: -328.141 Base-Backbone interact. energy: 2.228 local terms energy: -468.240478 where: bonds (distance) C4'-P energy: -97.691 bonds (distance) P-C4' energy: -105.820 flat angles C4'-P-C4' energy: -112.629 flat angles P-C4'-P energy: -69.006 tors. eta vs tors. theta energy: -83.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -864.427010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.427010 (E_RNA) where: Base-Base interactions energy: -486.544 where: short stacking energy: -231.354 Base-Backbone interact. energy: 3.729 local terms energy: -381.612059 where: bonds (distance) C4'-P energy: -105.369 bonds (distance) P-C4' energy: -94.334 flat angles C4'-P-C4' energy: -88.298 flat angles P-C4'-P energy: -59.062 tors. eta vs tors. theta energy: -34.549 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: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -2276.675904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.675904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.675904 (E_RNA) where: Base-Base interactions energy: -1576.002 where: short stacking energy: -647.665 Base-Backbone interact. energy: -1.076 local terms energy: -699.598063 where: bonds (distance) C4'-P energy: -117.174 bonds (distance) P-C4' energy: -137.773 flat angles C4'-P-C4' energy: -149.935 flat angles P-C4'-P energy: -95.044 tors. eta vs tors. theta energy: -199.672 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: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2192.399219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.399219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.399219 (E_RNA) where: Base-Base interactions energy: -1508.900 where: short stacking energy: -650.996 Base-Backbone interact. energy: -0.141 local terms energy: -683.358464 where: bonds (distance) C4'-P energy: -125.205 bonds (distance) P-C4' energy: -120.782 flat angles C4'-P-C4' energy: -144.238 flat angles P-C4'-P energy: -96.777 tors. eta vs tors. theta energy: -196.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2154.950881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.950881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.950881 (E_RNA) where: Base-Base interactions energy: -1525.194 where: short stacking energy: -613.284 Base-Backbone interact. energy: -3.674 local terms energy: -626.082713 where: bonds (distance) C4'-P energy: -110.322 bonds (distance) P-C4' energy: -119.646 flat angles C4'-P-C4' energy: -137.915 flat angles P-C4'-P energy: -77.645 tors. eta vs tors. theta energy: -180.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1996.577613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.577613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.577613 (E_RNA) where: Base-Base interactions energy: -1367.609 where: short stacking energy: -558.272 Base-Backbone interact. energy: 0.018 local terms energy: -628.986246 where: bonds (distance) C4'-P energy: -119.340 bonds (distance) P-C4' energy: -119.867 flat angles C4'-P-C4' energy: -136.406 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -174.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1903.729086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.729086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.729086 (E_RNA) where: Base-Base interactions energy: -1330.703 where: short stacking energy: -551.855 Base-Backbone interact. energy: -4.306 local terms energy: -568.719233 where: bonds (distance) C4'-P energy: -95.843 bonds (distance) P-C4' energy: -113.923 flat angles C4'-P-C4' energy: -119.508 flat angles P-C4'-P energy: -84.315 tors. eta vs tors. theta energy: -155.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1695.616577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.616577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.616577 (E_RNA) where: Base-Base interactions energy: -1151.912 where: short stacking energy: -489.082 Base-Backbone interact. energy: -1.119 local terms energy: -542.585604 where: bonds (distance) C4'-P energy: -96.983 bonds (distance) P-C4' energy: -113.123 flat angles C4'-P-C4' energy: -116.752 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -151.776 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: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1553.831451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.831451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.831451 (E_RNA) where: Base-Base interactions energy: -1078.105 where: short stacking energy: -460.221 Base-Backbone interact. energy: 5.544 local terms energy: -481.270786 where: bonds (distance) C4'-P energy: -97.750 bonds (distance) P-C4' energy: -97.187 flat angles C4'-P-C4' energy: -104.142 flat angles P-C4'-P energy: -59.241 tors. eta vs tors. theta energy: -122.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1416.406161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.406161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.406161 (E_RNA) where: Base-Base interactions energy: -913.889 where: short stacking energy: -405.259 Base-Backbone interact. energy: -0.588 local terms energy: -501.929058 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -105.652 flat angles C4'-P-C4' energy: -114.906 flat angles P-C4'-P energy: -62.054 tors. eta vs tors. theta energy: -118.816 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1207.894968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.894968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.894968 (E_RNA) where: Base-Base interactions energy: -762.170 where: short stacking energy: -349.222 Base-Backbone interact. energy: 4.310 local terms energy: -450.034814 where: bonds (distance) C4'-P energy: -108.971 bonds (distance) P-C4' energy: -99.339 flat angles C4'-P-C4' energy: -85.966 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -80.018 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: 7 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -892.455196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.455196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.455196 (E_RNA) where: Base-Base interactions energy: -506.809 where: short stacking energy: -217.445 Base-Backbone interact. energy: 0.007 local terms energy: -385.653958 where: bonds (distance) C4'-P energy: -97.188 bonds (distance) P-C4' energy: -114.695 flat angles C4'-P-C4' energy: -97.753 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -26.394 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: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -2274.483559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.483559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.483559 (E_RNA) where: Base-Base interactions energy: -1593.150 where: short stacking energy: -662.045 Base-Backbone interact. energy: -1.217 local terms energy: -680.116395 where: bonds (distance) C4'-P energy: -114.381 bonds (distance) P-C4' energy: -113.536 flat angles C4'-P-C4' energy: -146.848 flat angles P-C4'-P energy: -106.857 tors. eta vs tors. theta energy: -198.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2182.743486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.743486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.743486 (E_RNA) where: Base-Base interactions energy: -1531.282 where: short stacking energy: -621.948 Base-Backbone interact. energy: -0.934 local terms energy: -650.527535 where: bonds (distance) C4'-P energy: -113.188 bonds (distance) P-C4' energy: -109.373 flat angles C4'-P-C4' energy: -139.836 flat angles P-C4'-P energy: -99.217 tors. eta vs tors. theta energy: -188.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2154.882620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.882620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.882620 (E_RNA) where: Base-Base interactions energy: -1497.334 where: short stacking energy: -607.818 Base-Backbone interact. energy: -2.857 local terms energy: -654.691554 where: bonds (distance) C4'-P energy: -118.268 bonds (distance) P-C4' energy: -131.771 flat angles C4'-P-C4' energy: -142.610 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -187.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2026.474615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.474615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.474615 (E_RNA) where: Base-Base interactions energy: -1391.777 where: short stacking energy: -574.826 Base-Backbone interact. energy: 0.676 local terms energy: -635.372887 where: bonds (distance) C4'-P energy: -111.873 bonds (distance) P-C4' energy: -130.494 flat angles C4'-P-C4' energy: -131.733 flat angles P-C4'-P energy: -92.797 tors. eta vs tors. theta energy: -168.475 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: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1904.407214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.407214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.407214 (E_RNA) where: Base-Base interactions energy: -1307.430 where: short stacking energy: -548.561 Base-Backbone interact. energy: -2.217 local terms energy: -594.760106 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -104.544 flat angles C4'-P-C4' energy: -132.370 flat angles P-C4'-P energy: -86.734 tors. eta vs tors. theta energy: -153.299 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: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1720.756118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.756118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.756118 (E_RNA) where: Base-Base interactions energy: -1186.883 where: short stacking energy: -481.028 Base-Backbone interact. energy: 2.150 local terms energy: -536.023491 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -97.415 flat angles C4'-P-C4' energy: -127.187 flat angles P-C4'-P energy: -78.066 tors. eta vs tors. theta energy: -135.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1598.734894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.734894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.734894 (E_RNA) where: Base-Base interactions energy: -1037.977 where: short stacking energy: -456.500 Base-Backbone interact. energy: -0.983 local terms energy: -559.774418 where: bonds (distance) C4'-P energy: -94.676 bonds (distance) P-C4' energy: -120.234 flat angles C4'-P-C4' energy: -126.788 flat angles P-C4'-P energy: -87.679 tors. eta vs tors. theta energy: -130.397 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: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1415.607581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.607581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.607581 (E_RNA) where: Base-Base interactions energy: -921.313 where: short stacking energy: -391.507 Base-Backbone interact. energy: -3.089 local terms energy: -491.205401 where: bonds (distance) C4'-P energy: -106.700 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -112.929 flat angles P-C4'-P energy: -68.325 tors. eta vs tors. theta energy: -93.421 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: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1170.693360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.693360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.693360 (E_RNA) where: Base-Base interactions energy: -760.333 where: short stacking energy: -330.676 Base-Backbone interact. energy: 3.833 local terms energy: -414.193269 where: bonds (distance) C4'-P energy: -77.868 bonds (distance) P-C4' energy: -109.952 flat angles C4'-P-C4' energy: -107.195 flat angles P-C4'-P energy: -49.523 tors. eta vs tors. theta energy: -69.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -902.553950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.553950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.553950 (E_RNA) where: Base-Base interactions energy: -531.206 where: short stacking energy: -260.283 Base-Backbone interact. energy: 0.836 local terms energy: -372.184264 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -99.655 flat angles C4'-P-C4' energy: -94.986 flat angles P-C4'-P energy: -62.197 tors. eta vs tors. theta energy: -25.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -2284.006878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.006878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.006878 (E_RNA) where: Base-Base interactions energy: -1589.136 where: short stacking energy: -662.698 Base-Backbone interact. energy: -0.415 local terms energy: -694.456290 where: bonds (distance) C4'-P energy: -114.895 bonds (distance) P-C4' energy: -128.004 flat angles C4'-P-C4' energy: -143.681 flat angles P-C4'-P energy: -99.439 tors. eta vs tors. theta energy: -208.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2198.163199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.163199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.163199 (E_RNA) where: Base-Base interactions energy: -1514.714 where: short stacking energy: -620.827 Base-Backbone interact. energy: -0.501 local terms energy: -682.947776 where: bonds (distance) C4'-P energy: -124.043 bonds (distance) P-C4' energy: -125.568 flat angles C4'-P-C4' energy: -152.448 flat angles P-C4'-P energy: -84.777 tors. eta vs tors. theta energy: -196.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2176.569184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.569184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.569184 (E_RNA) where: Base-Base interactions energy: -1501.610 where: short stacking energy: -637.091 Base-Backbone interact. energy: -1.535 local terms energy: -673.424207 where: bonds (distance) C4'-P energy: -121.503 bonds (distance) P-C4' energy: -119.518 flat angles C4'-P-C4' energy: -138.129 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -199.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2013.233444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.233444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.233444 (E_RNA) where: Base-Base interactions energy: -1380.328 where: short stacking energy: -584.180 Base-Backbone interact. energy: -0.214 local terms energy: -632.691766 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -120.647 flat angles C4'-P-C4' energy: -126.108 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -176.888 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: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1886.230050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.230050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.230050 (E_RNA) where: Base-Base interactions energy: -1334.513 where: short stacking energy: -516.612 Base-Backbone interact. energy: 1.285 local terms energy: -553.001801 where: bonds (distance) C4'-P energy: -102.226 bonds (distance) P-C4' energy: -109.943 flat angles C4'-P-C4' energy: -119.373 flat angles P-C4'-P energy: -78.011 tors. eta vs tors. theta energy: -143.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1720.188193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.188193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.188193 (E_RNA) where: Base-Base interactions energy: -1142.899 where: short stacking energy: -500.434 Base-Backbone interact. energy: 1.344 local terms energy: -578.633148 where: bonds (distance) C4'-P energy: -109.031 bonds (distance) P-C4' energy: -111.719 flat angles C4'-P-C4' energy: -130.827 flat angles P-C4'-P energy: -87.643 tors. eta vs tors. theta energy: -139.413 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: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1597.677238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.677238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.677238 (E_RNA) where: Base-Base interactions energy: -1097.626 where: short stacking energy: -465.806 Base-Backbone interact. energy: -0.925 local terms energy: -499.126017 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -92.960 flat angles C4'-P-C4' energy: -111.531 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: -119.897 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: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1449.976311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.976311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.976311 (E_RNA) where: Base-Base interactions energy: -984.993 where: short stacking energy: -409.063 Base-Backbone interact. energy: 6.663 local terms energy: -471.645587 where: bonds (distance) C4'-P energy: -85.431 bonds (distance) P-C4' energy: -111.428 flat angles C4'-P-C4' energy: -113.200 flat angles P-C4'-P energy: -55.231 tors. eta vs tors. theta energy: -106.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1206.196255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.196255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.196255 (E_RNA) where: Base-Base interactions energy: -772.485 where: short stacking energy: -347.863 Base-Backbone interact. energy: 0.328 local terms energy: -434.038572 where: bonds (distance) C4'-P energy: -105.782 bonds (distance) P-C4' energy: -81.038 flat angles C4'-P-C4' energy: -114.420 flat angles P-C4'-P energy: -61.038 tors. eta vs tors. theta energy: -71.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -944.926358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.926358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.926358 (E_RNA) where: Base-Base interactions energy: -556.455 where: short stacking energy: -263.467 Base-Backbone interact. energy: 0.330 local terms energy: -388.802013 where: bonds (distance) C4'-P energy: -102.203 bonds (distance) P-C4' energy: -103.074 flat angles C4'-P-C4' energy: -97.031 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -21.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -2313.905350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.905350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.905350 (E_RNA) where: Base-Base interactions energy: -1599.913 where: short stacking energy: -652.337 Base-Backbone interact. energy: -0.905 local terms energy: -713.086747 where: bonds (distance) C4'-P energy: -135.347 bonds (distance) P-C4' energy: -131.805 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -102.179 tors. eta vs tors. theta energy: -196.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2213.629494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.629494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.629494 (E_RNA) where: Base-Base interactions energy: -1538.300 where: short stacking energy: -628.659 Base-Backbone interact. energy: -4.356 local terms energy: -670.973727 where: bonds (distance) C4'-P energy: -107.093 bonds (distance) P-C4' energy: -126.295 flat angles C4'-P-C4' energy: -144.313 flat angles P-C4'-P energy: -90.636 tors. eta vs tors. theta energy: -202.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2176.992236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.992236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.992236 (E_RNA) where: Base-Base interactions energy: -1516.596 where: short stacking energy: -622.053 Base-Backbone interact. energy: -0.317 local terms energy: -660.079189 where: bonds (distance) C4'-P energy: -106.406 bonds (distance) P-C4' energy: -123.571 flat angles C4'-P-C4' energy: -140.312 flat angles P-C4'-P energy: -101.274 tors. eta vs tors. theta energy: -188.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2013.061299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.061299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.061299 (E_RNA) where: Base-Base interactions energy: -1396.049 where: short stacking energy: -596.843 Base-Backbone interact. energy: -1.216 local terms energy: -615.796137 where: bonds (distance) C4'-P energy: -100.853 bonds (distance) P-C4' energy: -116.897 flat angles C4'-P-C4' energy: -125.942 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -174.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1934.155576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.155576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.155576 (E_RNA) where: Base-Base interactions energy: -1364.620 where: short stacking energy: -540.588 Base-Backbone interact. energy: -2.701 local terms energy: -566.834780 where: bonds (distance) C4'-P energy: -110.312 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -124.795 flat angles P-C4'-P energy: -81.643 tors. eta vs tors. theta energy: -155.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1674.168414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.168414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.168414 (E_RNA) where: Base-Base interactions energy: -1116.634 where: short stacking energy: -464.033 Base-Backbone interact. energy: -3.878 local terms energy: -553.657340 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -123.712 flat angles C4'-P-C4' energy: -119.151 flat angles P-C4'-P energy: -78.318 tors. eta vs tors. theta energy: -128.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1543.348219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.348219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.348219 (E_RNA) where: Base-Base interactions energy: -1060.156 where: short stacking energy: -453.328 Base-Backbone interact. energy: -1.410 local terms energy: -481.782908 where: bonds (distance) C4'-P energy: -108.571 bonds (distance) P-C4' energy: -83.032 flat angles C4'-P-C4' energy: -109.139 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -107.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1425.287450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.287450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.287450 (E_RNA) where: Base-Base interactions energy: -933.147 where: short stacking energy: -418.797 Base-Backbone interact. energy: 0.878 local terms energy: -493.018101 where: bonds (distance) C4'-P energy: -91.534 bonds (distance) P-C4' energy: -117.749 flat angles C4'-P-C4' energy: -115.665 flat angles P-C4'-P energy: -70.895 tors. eta vs tors. theta energy: -97.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1183.476951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.476951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.476951 (E_RNA) where: Base-Base interactions energy: -763.853 where: short stacking energy: -353.294 Base-Backbone interact. energy: 0.676 local terms energy: -420.300299 where: bonds (distance) C4'-P energy: -110.175 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -105.883 flat angles P-C4'-P energy: -48.775 tors. eta vs tors. theta energy: -64.211 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: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -949.262170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.262170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.262170 (E_RNA) where: Base-Base interactions energy: -536.811 where: short stacking energy: -242.169 Base-Backbone interact. energy: -0.256 local terms energy: -412.194934 where: bonds (distance) C4'-P energy: -118.562 bonds (distance) P-C4' energy: -108.515 flat angles C4'-P-C4' energy: -86.173 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: -38.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -2308.874051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.874051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.874051 (E_RNA) where: Base-Base interactions energy: -1603.010 where: short stacking energy: -668.033 Base-Backbone interact. energy: 2.782 local terms energy: -708.645795 where: bonds (distance) C4'-P energy: -117.902 bonds (distance) P-C4' energy: -116.516 flat angles C4'-P-C4' energy: -162.078 flat angles P-C4'-P energy: -103.833 tors. eta vs tors. theta energy: -208.316 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: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2195.084943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.084943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.084943 (E_RNA) where: Base-Base interactions energy: -1517.201 where: short stacking energy: -644.030 Base-Backbone interact. energy: -4.524 local terms energy: -673.360000 where: bonds (distance) C4'-P energy: -119.137 bonds (distance) P-C4' energy: -113.446 flat angles C4'-P-C4' energy: -153.757 flat angles P-C4'-P energy: -90.167 tors. eta vs tors. theta energy: -196.853 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: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2139.898613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.898613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.898613 (E_RNA) where: Base-Base interactions energy: -1503.410 where: short stacking energy: -631.694 Base-Backbone interact. energy: -0.690 local terms energy: -635.798917 where: bonds (distance) C4'-P energy: -113.460 bonds (distance) P-C4' energy: -115.461 flat angles C4'-P-C4' energy: -134.861 flat angles P-C4'-P energy: -81.475 tors. eta vs tors. theta energy: -190.542 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: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2023.444777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.444777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.444777 (E_RNA) where: Base-Base interactions energy: -1407.043 where: short stacking energy: -579.347 Base-Backbone interact. energy: -1.978 local terms energy: -614.423458 where: bonds (distance) C4'-P energy: -104.407 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -139.229 flat angles P-C4'-P energy: -80.299 tors. eta vs tors. theta energy: -175.899 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1921.502113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.502113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.502113 (E_RNA) where: Base-Base interactions energy: -1338.824 where: short stacking energy: -532.328 Base-Backbone interact. energy: -0.261 local terms energy: -582.417386 where: bonds (distance) C4'-P energy: -101.071 bonds (distance) P-C4' energy: -122.309 flat angles C4'-P-C4' energy: -121.727 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -161.875 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: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1775.836169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.836169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.836169 (E_RNA) where: Base-Base interactions energy: -1222.533 where: short stacking energy: -509.320 Base-Backbone interact. energy: -0.545 local terms energy: -552.757729 where: bonds (distance) C4'-P energy: -99.949 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -116.384 flat angles P-C4'-P energy: -79.473 tors. eta vs tors. theta energy: -151.798 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: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1577.041083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.041083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.041083 (E_RNA) where: Base-Base interactions energy: -1069.643 where: short stacking energy: -453.402 Base-Backbone interact. energy: -0.904 local terms energy: -506.493777 where: bonds (distance) C4'-P energy: -83.744 bonds (distance) P-C4' energy: -103.953 flat angles C4'-P-C4' energy: -119.759 flat angles P-C4'-P energy: -69.154 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: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1394.353235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.353235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.353235 (E_RNA) where: Base-Base interactions energy: -911.828 where: short stacking energy: -381.867 Base-Backbone interact. energy: 2.909 local terms energy: -485.433916 where: bonds (distance) C4'-P energy: -96.395 bonds (distance) P-C4' energy: -108.156 flat angles C4'-P-C4' energy: -104.014 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: -90.838 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: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1208.832947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.832947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.832947 (E_RNA) where: Base-Base interactions energy: -775.577 where: short stacking energy: -358.084 Base-Backbone interact. energy: 0.337 local terms energy: -433.593050 where: bonds (distance) C4'-P energy: -107.829 bonds (distance) P-C4' energy: -100.710 flat angles C4'-P-C4' energy: -96.477 flat angles P-C4'-P energy: -56.554 tors. eta vs tors. theta energy: -72.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -858.236666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.236666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.236666 (E_RNA) where: Base-Base interactions energy: -531.468 where: short stacking energy: -248.446 Base-Backbone interact. energy: -1.177 local terms energy: -325.591631 where: bonds (distance) C4'-P energy: -83.645 bonds (distance) P-C4' energy: -88.769 flat angles C4'-P-C4' energy: -75.680 flat angles P-C4'-P energy: -54.854 tors. eta vs tors. theta energy: -22.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -2299.025438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.025438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.025438 (E_RNA) where: Base-Base interactions energy: -1618.826 where: short stacking energy: -661.396 Base-Backbone interact. energy: -0.262 local terms energy: -679.937755 where: bonds (distance) C4'-P energy: -123.184 bonds (distance) P-C4' energy: -109.458 flat angles C4'-P-C4' energy: -147.247 flat angles P-C4'-P energy: -101.310 tors. eta vs tors. theta energy: -198.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2201.529746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.529746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.529746 (E_RNA) where: Base-Base interactions energy: -1541.984 where: short stacking energy: -636.838 Base-Backbone interact. energy: -4.246 local terms energy: -655.299672 where: bonds (distance) C4'-P energy: -116.223 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -144.851 flat angles P-C4'-P energy: -87.149 tors. eta vs tors. theta energy: -196.797 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: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2157.353748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.353748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.353748 (E_RNA) where: Base-Base interactions energy: -1506.992 where: short stacking energy: -615.581 Base-Backbone interact. energy: -1.562 local terms energy: -648.799484 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -117.219 flat angles C4'-P-C4' energy: -133.783 flat angles P-C4'-P energy: -94.827 tors. eta vs tors. theta energy: -186.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2009.234964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.234964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.234964 (E_RNA) where: Base-Base interactions energy: -1381.734 where: short stacking energy: -565.434 Base-Backbone interact. energy: -1.249 local terms energy: -626.251233 where: bonds (distance) C4'-P energy: -103.780 bonds (distance) P-C4' energy: -128.965 flat angles C4'-P-C4' energy: -126.743 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -174.058 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: 240 Temperature: 1.100000 Total energy: -1892.196350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.196350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.196350 (E_RNA) where: Base-Base interactions energy: -1317.006 where: short stacking energy: -525.880 Base-Backbone interact. energy: 0.208 local terms energy: -575.398558 where: bonds (distance) C4'-P energy: -110.073 bonds (distance) P-C4' energy: -96.988 flat angles C4'-P-C4' energy: -125.413 flat angles P-C4'-P energy: -85.127 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: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1737.005631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.005631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.005631 (E_RNA) where: Base-Base interactions energy: -1191.255 where: short stacking energy: -495.471 Base-Backbone interact. energy: -2.153 local terms energy: -543.597292 where: bonds (distance) C4'-P energy: -114.164 bonds (distance) P-C4' energy: -107.333 flat angles C4'-P-C4' energy: -115.636 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -136.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1567.131186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.131186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.131186 (E_RNA) where: Base-Base interactions energy: -1051.654 where: short stacking energy: -443.320 Base-Backbone interact. energy: -1.262 local terms energy: -514.215331 where: bonds (distance) C4'-P energy: -98.456 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -116.845 flat angles P-C4'-P energy: -76.350 tors. eta vs tors. theta energy: -118.977 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: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1383.570040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.570040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.570040 (E_RNA) where: Base-Base interactions energy: -904.970 where: short stacking energy: -403.127 Base-Backbone interact. energy: -0.119 local terms energy: -478.481606 where: bonds (distance) C4'-P energy: -95.583 bonds (distance) P-C4' energy: -103.502 flat angles C4'-P-C4' energy: -106.851 flat angles P-C4'-P energy: -67.841 tors. eta vs tors. theta energy: -104.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1218.483563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.483563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.483563 (E_RNA) where: Base-Base interactions energy: -790.037 where: short stacking energy: -350.058 Base-Backbone interact. energy: 5.443 local terms energy: -433.889389 where: bonds (distance) C4'-P energy: -114.013 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -106.748 flat angles P-C4'-P energy: -58.894 tors. eta vs tors. theta energy: -70.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -828.685369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.685369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.685369 (E_RNA) where: Base-Base interactions energy: -451.683 where: short stacking energy: -214.469 Base-Backbone interact. energy: -0.754 local terms energy: -376.247984 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -112.505 flat angles C4'-P-C4' energy: -102.502 flat angles P-C4'-P energy: -58.492 tors. eta vs tors. theta energy: -4.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -2274.111806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.111806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.111806 (E_RNA) where: Base-Base interactions energy: -1571.350 where: short stacking energy: -634.662 Base-Backbone interact. energy: -0.581 local terms energy: -702.179889 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -125.111 flat angles C4'-P-C4' energy: -147.980 flat angles P-C4'-P energy: -110.726 tors. eta vs tors. theta energy: -199.753 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: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2227.920729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.920729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.920729 (E_RNA) where: Base-Base interactions energy: -1556.133 where: short stacking energy: -612.156 Base-Backbone interact. energy: -0.466 local terms energy: -671.321400 where: bonds (distance) C4'-P energy: -123.498 bonds (distance) P-C4' energy: -119.747 flat angles C4'-P-C4' energy: -144.424 flat angles P-C4'-P energy: -86.910 tors. eta vs tors. theta energy: -196.742 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: 3, replica: 8 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2172.532107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.532107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.532107 (E_RNA) where: Base-Base interactions energy: -1494.820 where: short stacking energy: -636.199 Base-Backbone interact. energy: -0.277 local terms energy: -677.435384 where: bonds (distance) C4'-P energy: -118.864 bonds (distance) P-C4' energy: -114.308 flat angles C4'-P-C4' energy: -149.213 flat angles P-C4'-P energy: -94.753 tors. eta vs tors. theta energy: -200.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2000.043012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.043012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.043012 (E_RNA) where: Base-Base interactions energy: -1358.528 where: short stacking energy: -570.541 Base-Backbone interact. energy: -1.145 local terms energy: -640.370072 where: bonds (distance) C4'-P energy: -106.041 bonds (distance) P-C4' energy: -112.208 flat angles C4'-P-C4' energy: -141.555 flat angles P-C4'-P energy: -87.752 tors. eta vs tors. theta energy: -192.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1923.197349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.197349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.197349 (E_RNA) where: Base-Base interactions energy: -1324.697 where: short stacking energy: -531.983 Base-Backbone interact. energy: -2.418 local terms energy: -596.082103 where: bonds (distance) C4'-P energy: -113.417 bonds (distance) P-C4' energy: -120.897 flat angles C4'-P-C4' energy: -120.649 flat angles P-C4'-P energy: -84.270 tors. eta vs tors. theta energy: -156.849 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: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1753.300449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.300449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.300449 (E_RNA) where: Base-Base interactions energy: -1174.471 where: short stacking energy: -496.695 Base-Backbone interact. energy: 3.047 local terms energy: -581.876542 where: bonds (distance) C4'-P energy: -111.611 bonds (distance) P-C4' energy: -126.488 flat angles C4'-P-C4' energy: -118.791 flat angles P-C4'-P energy: -85.464 tors. eta vs tors. theta energy: -139.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1553.195454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.195454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.195454 (E_RNA) where: Base-Base interactions energy: -1026.094 where: short stacking energy: -445.773 Base-Backbone interact. energy: 1.112 local terms energy: -528.213984 where: bonds (distance) C4'-P energy: -102.794 bonds (distance) P-C4' energy: -110.898 flat angles C4'-P-C4' energy: -126.255 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -114.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1371.373870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.373870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.373870 (E_RNA) where: Base-Base interactions energy: -896.323 where: short stacking energy: -388.242 Base-Backbone interact. energy: -1.981 local terms energy: -473.070692 where: bonds (distance) C4'-P energy: -100.031 bonds (distance) P-C4' energy: -110.913 flat angles C4'-P-C4' energy: -103.904 flat angles P-C4'-P energy: -64.662 tors. eta vs tors. theta energy: -93.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1196.124066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.124066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.124066 (E_RNA) where: Base-Base interactions energy: -773.653 where: short stacking energy: -328.222 Base-Backbone interact. energy: -2.319 local terms energy: -420.151953 where: bonds (distance) C4'-P energy: -115.677 bonds (distance) P-C4' energy: -92.614 flat angles C4'-P-C4' energy: -87.848 flat angles P-C4'-P energy: -52.834 tors. eta vs tors. theta energy: -71.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -884.971270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.971270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.971270 (E_RNA) where: Base-Base interactions energy: -505.031 where: short stacking energy: -239.342 Base-Backbone interact. energy: 0.254 local terms energy: -380.193805 where: bonds (distance) C4'-P energy: -86.212 bonds (distance) P-C4' energy: -97.485 flat angles C4'-P-C4' energy: -95.829 flat angles P-C4'-P energy: -59.754 tors. eta vs tors. theta energy: -40.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -2263.879351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.879351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.879351 (E_RNA) where: Base-Base interactions energy: -1553.816 where: short stacking energy: -654.085 Base-Backbone interact. energy: -2.333 local terms energy: -707.731121 where: bonds (distance) C4'-P energy: -130.926 bonds (distance) P-C4' energy: -129.358 flat angles C4'-P-C4' energy: -150.741 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -200.120 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: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2210.687314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.687314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.687314 (E_RNA) where: Base-Base interactions energy: -1542.783 where: short stacking energy: -614.933 Base-Backbone interact. energy: -4.553 local terms energy: -663.351786 where: bonds (distance) C4'-P energy: -107.978 bonds (distance) P-C4' energy: -125.842 flat angles C4'-P-C4' energy: -139.233 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -194.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2200.252283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.252283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.252283 (E_RNA) where: Base-Base interactions energy: -1537.844 where: short stacking energy: -623.938 Base-Backbone interact. energy: -2.686 local terms energy: -659.721608 where: bonds (distance) C4'-P energy: -119.150 bonds (distance) P-C4' energy: -121.336 flat angles C4'-P-C4' energy: -136.150 flat angles P-C4'-P energy: -93.100 tors. eta vs tors. theta energy: -189.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2065.804890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.804890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.804890 (E_RNA) where: Base-Base interactions energy: -1436.759 where: short stacking energy: -595.159 Base-Backbone interact. energy: -1.491 local terms energy: -627.554285 where: bonds (distance) C4'-P energy: -107.233 bonds (distance) P-C4' energy: -106.521 flat angles C4'-P-C4' energy: -136.530 flat angles P-C4'-P energy: -94.855 tors. eta vs tors. theta energy: -182.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1899.436041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.436041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.436041 (E_RNA) where: Base-Base interactions energy: -1300.625 where: short stacking energy: -530.219 Base-Backbone interact. energy: -0.716 local terms energy: -598.094803 where: bonds (distance) C4'-P energy: -111.166 bonds (distance) P-C4' energy: -114.555 flat angles C4'-P-C4' energy: -136.428 flat angles P-C4'-P energy: -79.543 tors. eta vs tors. theta energy: -156.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1760.327621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.327621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.327621 (E_RNA) where: Base-Base interactions energy: -1191.521 where: short stacking energy: -484.965 Base-Backbone interact. energy: -0.934 local terms energy: -567.873108 where: bonds (distance) C4'-P energy: -107.906 bonds (distance) P-C4' energy: -118.009 flat angles C4'-P-C4' energy: -117.548 flat angles P-C4'-P energy: -81.379 tors. eta vs tors. theta energy: -143.030 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: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1538.530199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.530199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.530199 (E_RNA) where: Base-Base interactions energy: -1012.486 where: short stacking energy: -421.025 Base-Backbone interact. energy: -0.899 local terms energy: -525.145847 where: bonds (distance) C4'-P energy: -109.851 bonds (distance) P-C4' energy: -119.637 flat angles C4'-P-C4' energy: -113.142 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -99.533 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: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1404.848153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.848153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.848153 (E_RNA) where: Base-Base interactions energy: -917.525 where: short stacking energy: -420.173 Base-Backbone interact. energy: 0.826 local terms energy: -488.148790 where: bonds (distance) C4'-P energy: -107.322 bonds (distance) P-C4' energy: -105.645 flat angles C4'-P-C4' energy: -105.255 flat angles P-C4'-P energy: -63.678 tors. eta vs tors. theta energy: -106.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1194.109341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.109341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.109341 (E_RNA) where: Base-Base interactions energy: -758.181 where: short stacking energy: -325.208 Base-Backbone interact. energy: -1.648 local terms energy: -434.280450 where: bonds (distance) C4'-P energy: -111.333 bonds (distance) P-C4' energy: -97.346 flat angles C4'-P-C4' energy: -92.353 flat angles P-C4'-P energy: -56.420 tors. eta vs tors. theta energy: -76.830 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: 242 Temperature: 1.350000 Total energy: -913.512575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.512575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.512575 (E_RNA) where: Base-Base interactions energy: -539.001 where: short stacking energy: -228.794 Base-Backbone interact. energy: -4.721 local terms energy: -369.790038 where: bonds (distance) C4'-P energy: -83.679 bonds (distance) P-C4' energy: -101.158 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -58.794 tors. eta vs tors. theta energy: -28.753 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: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -2272.926974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.926974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.926974 (E_RNA) where: Base-Base interactions energy: -1570.272 where: short stacking energy: -644.048 Base-Backbone interact. energy: -2.113 local terms energy: -700.542332 where: bonds (distance) C4'-P energy: -127.594 bonds (distance) P-C4' energy: -124.847 flat angles C4'-P-C4' energy: -144.665 flat angles P-C4'-P energy: -100.540 tors. eta vs tors. theta energy: -202.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2236.691824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.691824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.691824 (E_RNA) where: Base-Base interactions energy: -1583.638 where: short stacking energy: -663.477 Base-Backbone interact. energy: -2.061 local terms energy: -650.991898 where: bonds (distance) C4'-P energy: -113.338 bonds (distance) P-C4' energy: -123.154 flat angles C4'-P-C4' energy: -127.850 flat angles P-C4'-P energy: -91.318 tors. eta vs tors. theta energy: -195.332 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: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2171.056015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.056015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.056015 (E_RNA) where: Base-Base interactions energy: -1530.708 where: short stacking energy: -610.183 Base-Backbone interact. energy: -2.780 local terms energy: -637.567980 where: bonds (distance) C4'-P energy: -112.893 bonds (distance) P-C4' energy: -101.090 flat angles C4'-P-C4' energy: -137.507 flat angles P-C4'-P energy: -96.897 tors. eta vs tors. theta energy: -189.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2107.010837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.010837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.010837 (E_RNA) where: Base-Base interactions energy: -1446.851 where: short stacking energy: -580.866 Base-Backbone interact. energy: -0.504 local terms energy: -659.656449 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -129.210 flat angles C4'-P-C4' energy: -130.679 flat angles P-C4'-P energy: -93.192 tors. eta vs tors. theta energy: -183.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1899.041745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.041745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.041745 (E_RNA) where: Base-Base interactions energy: -1329.696 where: short stacking energy: -533.703 Base-Backbone interact. energy: 2.291 local terms energy: -571.636862 where: bonds (distance) C4'-P energy: -98.370 bonds (distance) P-C4' energy: -110.002 flat angles C4'-P-C4' energy: -126.715 flat angles P-C4'-P energy: -79.962 tors. eta vs tors. theta energy: -156.588 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: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1736.515027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.515027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.515027 (E_RNA) where: Base-Base interactions energy: -1183.443 where: short stacking energy: -494.573 Base-Backbone interact. energy: -1.149 local terms energy: -551.923018 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -113.696 flat angles C4'-P-C4' energy: -115.270 flat angles P-C4'-P energy: -81.423 tors. eta vs tors. theta energy: -143.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1530.336678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.336678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.336678 (E_RNA) where: Base-Base interactions energy: -1036.394 where: short stacking energy: -436.863 Base-Backbone interact. energy: 4.880 local terms energy: -498.822983 where: bonds (distance) C4'-P energy: -107.869 bonds (distance) P-C4' energy: -87.482 flat angles C4'-P-C4' energy: -115.465 flat angles P-C4'-P energy: -63.083 tors. eta vs tors. theta energy: -124.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1410.905254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.905254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.905254 (E_RNA) where: Base-Base interactions energy: -946.776 where: short stacking energy: -403.342 Base-Backbone interact. energy: -2.855 local terms energy: -461.274240 where: bonds (distance) C4'-P energy: -94.349 bonds (distance) P-C4' energy: -103.162 flat angles C4'-P-C4' energy: -121.365 flat angles P-C4'-P energy: -54.648 tors. eta vs tors. theta energy: -87.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1186.300385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.300385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.300385 (E_RNA) where: Base-Base interactions energy: -738.262 where: short stacking energy: -334.221 Base-Backbone interact. energy: -1.402 local terms energy: -446.636513 where: bonds (distance) C4'-P energy: -84.595 bonds (distance) P-C4' energy: -107.145 flat angles C4'-P-C4' energy: -110.028 flat angles P-C4'-P energy: -63.858 tors. eta vs tors. theta energy: -81.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -955.576747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.576747 (E_RNA) where: Base-Base interactions energy: -575.693 where: short stacking energy: -239.688 Base-Backbone interact. energy: 7.763 local terms energy: -387.646522 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -108.375 flat angles C4'-P-C4' energy: -97.334 flat angles P-C4'-P energy: -66.208 tors. eta vs tors. theta energy: -40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -2309.751643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.751643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.751643 (E_RNA) where: Base-Base interactions energy: -1604.876 where: short stacking energy: -668.916 Base-Backbone interact. energy: 2.395 local terms energy: -707.270543 where: bonds (distance) C4'-P energy: -135.602 bonds (distance) P-C4' energy: -124.534 flat angles C4'-P-C4' energy: -143.780 flat angles P-C4'-P energy: -99.777 tors. eta vs tors. theta energy: -203.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2227.930023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.930023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.930023 (E_RNA) where: Base-Base interactions energy: -1534.921 where: short stacking energy: -642.600 Base-Backbone interact. energy: 3.123 local terms energy: -696.131779 where: bonds (distance) C4'-P energy: -128.139 bonds (distance) P-C4' energy: -129.997 flat angles C4'-P-C4' energy: -140.757 flat angles P-C4'-P energy: -98.840 tors. eta vs tors. theta energy: -198.399 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: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2160.387005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.387005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.387005 (E_RNA) where: Base-Base interactions energy: -1517.217 where: short stacking energy: -634.319 Base-Backbone interact. energy: -2.183 local terms energy: -640.987128 where: bonds (distance) C4'-P energy: -121.679 bonds (distance) P-C4' energy: -113.304 flat angles C4'-P-C4' energy: -135.148 flat angles P-C4'-P energy: -87.650 tors. eta vs tors. theta energy: -183.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2092.716986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.716986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.716986 (E_RNA) where: Base-Base interactions energy: -1467.182 where: short stacking energy: -614.981 Base-Backbone interact. energy: 1.491 local terms energy: -627.026855 where: bonds (distance) C4'-P energy: -112.027 bonds (distance) P-C4' energy: -109.636 flat angles C4'-P-C4' energy: -134.270 flat angles P-C4'-P energy: -94.050 tors. eta vs tors. theta energy: -177.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1902.065709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.065709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.065709 (E_RNA) where: Base-Base interactions energy: -1322.873 where: short stacking energy: -524.552 Base-Backbone interact. energy: -1.458 local terms energy: -577.734284 where: bonds (distance) C4'-P energy: -115.471 bonds (distance) P-C4' energy: -104.165 flat angles C4'-P-C4' energy: -126.378 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -149.707 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: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1678.041497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.041497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.041497 (E_RNA) where: Base-Base interactions energy: -1157.396 where: short stacking energy: -493.127 Base-Backbone interact. energy: 7.558 local terms energy: -528.203427 where: bonds (distance) C4'-P energy: -96.321 bonds (distance) P-C4' energy: -115.605 flat angles C4'-P-C4' energy: -117.623 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -140.781 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: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1527.021998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.021998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.021998 (E_RNA) where: Base-Base interactions energy: -1020.737 where: short stacking energy: -443.024 Base-Backbone interact. energy: 0.093 local terms energy: -506.377676 where: bonds (distance) C4'-P energy: -99.684 bonds (distance) P-C4' energy: -103.569 flat angles C4'-P-C4' energy: -111.415 flat angles P-C4'-P energy: -83.189 tors. eta vs tors. theta energy: -108.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1446.777833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.777833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.777833 (E_RNA) where: Base-Base interactions energy: -937.347 where: short stacking energy: -416.551 Base-Backbone interact. energy: -0.856 local terms energy: -508.575385 where: bonds (distance) C4'-P energy: -106.029 bonds (distance) P-C4' energy: -104.567 flat angles C4'-P-C4' energy: -110.185 flat angles P-C4'-P energy: -81.592 tors. eta vs tors. theta energy: -106.202 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: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1213.993547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.993547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.993547 (E_RNA) where: Base-Base interactions energy: -754.437 where: short stacking energy: -332.756 Base-Backbone interact. energy: -2.599 local terms energy: -456.958418 where: bonds (distance) C4'-P energy: -90.017 bonds (distance) P-C4' energy: -108.392 flat angles C4'-P-C4' energy: -126.059 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -68.701 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: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -987.687672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.687672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.687672 (E_RNA) where: Base-Base interactions energy: -619.212 where: short stacking energy: -288.650 Base-Backbone interact. energy: -3.283 local terms energy: -365.192563 where: bonds (distance) C4'-P energy: -96.911 bonds (distance) P-C4' energy: -90.753 flat angles C4'-P-C4' energy: -93.921 flat angles P-C4'-P energy: -39.159 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: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -2298.528240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.528240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.528240 (E_RNA) where: Base-Base interactions energy: -1611.100 where: short stacking energy: -639.518 Base-Backbone interact. energy: -0.313 local terms energy: -687.114821 where: bonds (distance) C4'-P energy: -128.660 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -147.554 flat angles P-C4'-P energy: -97.120 tors. eta vs tors. theta energy: -196.880 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: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2252.262929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.262929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.262929 (E_RNA) where: Base-Base interactions energy: -1563.179 where: short stacking energy: -645.013 Base-Backbone interact. energy: -0.775 local terms energy: -688.308939 where: bonds (distance) C4'-P energy: -118.522 bonds (distance) P-C4' energy: -126.399 flat angles C4'-P-C4' energy: -141.605 flat angles P-C4'-P energy: -99.798 tors. eta vs tors. theta energy: -201.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2171.695325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.695325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.695325 (E_RNA) where: Base-Base interactions energy: -1527.735 where: short stacking energy: -627.420 Base-Backbone interact. energy: -3.000 local terms energy: -640.960607 where: bonds (distance) C4'-P energy: -115.802 bonds (distance) P-C4' energy: -110.664 flat angles C4'-P-C4' energy: -133.721 flat angles P-C4'-P energy: -87.499 tors. eta vs tors. theta energy: -193.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2092.472457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.472457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.472457 (E_RNA) where: Base-Base interactions energy: -1463.697 where: short stacking energy: -614.448 Base-Backbone interact. energy: -2.133 local terms energy: -626.642261 where: bonds (distance) C4'-P energy: -110.102 bonds (distance) P-C4' energy: -115.422 flat angles C4'-P-C4' energy: -132.622 flat angles P-C4'-P energy: -87.480 tors. eta vs tors. theta energy: -181.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1892.333357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.333357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.333357 (E_RNA) where: Base-Base interactions energy: -1333.834 where: short stacking energy: -553.249 Base-Backbone interact. energy: 3.567 local terms energy: -562.067066 where: bonds (distance) C4'-P energy: -89.894 bonds (distance) P-C4' energy: -120.932 flat angles C4'-P-C4' energy: -119.578 flat angles P-C4'-P energy: -75.992 tors. eta vs tors. theta energy: -155.671 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: 245 Temperature: 1.150000 Total energy: -1670.938862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.938862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.938862 (E_RNA) where: Base-Base interactions energy: -1135.028 where: short stacking energy: -463.687 Base-Backbone interact. energy: -1.638 local terms energy: -534.272704 where: bonds (distance) C4'-P energy: -113.465 bonds (distance) P-C4' energy: -101.176 flat angles C4'-P-C4' energy: -116.060 flat angles P-C4'-P energy: -72.338 tors. eta vs tors. theta energy: -131.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1535.560372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.560372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.560372 (E_RNA) where: Base-Base interactions energy: -1011.292 where: short stacking energy: -440.420 Base-Backbone interact. energy: -1.136 local terms energy: -523.133035 where: bonds (distance) C4'-P energy: -96.035 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -125.707 flat angles P-C4'-P energy: -79.122 tors. eta vs tors. theta energy: -124.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1383.726721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.726721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.726721 (E_RNA) where: Base-Base interactions energy: -911.263 where: short stacking energy: -389.130 Base-Backbone interact. energy: -0.889 local terms energy: -471.574849 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -103.798 flat angles C4'-P-C4' energy: -105.089 flat angles P-C4'-P energy: -70.294 tors. eta vs tors. theta energy: -94.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1251.352601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.352601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.352601 (E_RNA) where: Base-Base interactions energy: -796.556 where: short stacking energy: -352.957 Base-Backbone interact. energy: -0.798 local terms energy: -453.998467 where: bonds (distance) C4'-P energy: -97.830 bonds (distance) P-C4' energy: -104.027 flat angles C4'-P-C4' energy: -97.801 flat angles P-C4'-P energy: -65.547 tors. eta vs tors. theta energy: -88.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1006.071569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.071569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.071569 (E_RNA) where: Base-Base interactions energy: -623.224 where: short stacking energy: -280.839 Base-Backbone interact. energy: 3.516 local terms energy: -386.363899 where: bonds (distance) C4'-P energy: -85.104 bonds (distance) P-C4' energy: -93.711 flat angles C4'-P-C4' energy: -87.993 flat angles P-C4'-P energy: -63.454 tors. eta vs tors. theta energy: -56.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -2296.275012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.275012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.275012 (E_RNA) where: Base-Base interactions energy: -1589.722 where: short stacking energy: -653.736 Base-Backbone interact. energy: -1.965 local terms energy: -704.587459 where: bonds (distance) C4'-P energy: -122.434 bonds (distance) P-C4' energy: -127.988 flat angles C4'-P-C4' energy: -142.234 flat angles P-C4'-P energy: -107.835 tors. eta vs tors. theta energy: -204.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2244.886927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.886927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.886927 (E_RNA) where: Base-Base interactions energy: -1581.393 where: short stacking energy: -638.832 Base-Backbone interact. energy: -0.480 local terms energy: -663.013212 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -114.512 flat angles C4'-P-C4' energy: -149.819 flat angles P-C4'-P energy: -91.310 tors. eta vs tors. theta energy: -199.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2205.651577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.651577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.651577 (E_RNA) where: Base-Base interactions energy: -1546.215 where: short stacking energy: -624.008 Base-Backbone interact. energy: -0.835 local terms energy: -658.601553 where: bonds (distance) C4'-P energy: -119.905 bonds (distance) P-C4' energy: -120.004 flat angles C4'-P-C4' energy: -139.243 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -185.295 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: 9 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2065.977887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.977887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.977887 (E_RNA) where: Base-Base interactions energy: -1417.799 where: short stacking energy: -605.613 Base-Backbone interact. energy: -1.688 local terms energy: -646.490170 where: bonds (distance) C4'-P energy: -117.958 bonds (distance) P-C4' energy: -109.021 flat angles C4'-P-C4' energy: -129.900 flat angles P-C4'-P energy: -96.034 tors. eta vs tors. theta energy: -193.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1901.473429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.473429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.473429 (E_RNA) where: Base-Base interactions energy: -1308.362 where: short stacking energy: -532.005 Base-Backbone interact. energy: -1.322 local terms energy: -591.789665 where: bonds (distance) C4'-P energy: -103.586 bonds (distance) P-C4' energy: -122.388 flat angles C4'-P-C4' energy: -128.864 flat angles P-C4'-P energy: -86.304 tors. eta vs tors. theta energy: -150.647 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: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1653.569004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.569004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.569004 (E_RNA) where: Base-Base interactions energy: -1108.387 where: short stacking energy: -478.389 Base-Backbone interact. energy: -0.647 local terms energy: -544.534389 where: bonds (distance) C4'-P energy: -109.774 bonds (distance) P-C4' energy: -109.730 flat angles C4'-P-C4' energy: -118.336 flat angles P-C4'-P energy: -79.014 tors. eta vs tors. theta energy: -127.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1526.378086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.378086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.378086 (E_RNA) where: Base-Base interactions energy: -1021.590 where: short stacking energy: -466.311 Base-Backbone interact. energy: -0.245 local terms energy: -504.543624 where: bonds (distance) C4'-P energy: -97.278 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -115.330 flat angles P-C4'-P energy: -83.491 tors. eta vs tors. theta energy: -111.157 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: 246 Temperature: 1.250000 Total energy: -1434.134271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.134271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.134271 (E_RNA) where: Base-Base interactions energy: -930.669 where: short stacking energy: -400.126 Base-Backbone interact. energy: -1.656 local terms energy: -501.809355 where: bonds (distance) C4'-P energy: -102.391 bonds (distance) P-C4' energy: -110.724 flat angles C4'-P-C4' energy: -118.497 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -109.044 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: 9, replica: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1199.443348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.443348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.443348 (E_RNA) where: Base-Base interactions energy: -771.036 where: short stacking energy: -336.269 Base-Backbone interact. energy: -1.398 local terms energy: -427.008989 where: bonds (distance) C4'-P energy: -76.351 bonds (distance) P-C4' energy: -99.428 flat angles C4'-P-C4' energy: -96.213 flat angles P-C4'-P energy: -79.915 tors. eta vs tors. theta energy: -75.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -993.521058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.521058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.521058 (E_RNA) where: Base-Base interactions energy: -594.695 where: short stacking energy: -263.182 Base-Backbone interact. energy: 3.715 local terms energy: -402.540963 where: bonds (distance) C4'-P energy: -84.281 bonds (distance) P-C4' energy: -111.024 flat angles C4'-P-C4' energy: -109.217 flat angles P-C4'-P energy: -56.281 tors. eta vs tors. theta energy: -41.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -2287.259714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.259714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.259714 (E_RNA) where: Base-Base interactions energy: -1582.468 where: short stacking energy: -654.065 Base-Backbone interact. energy: -2.196 local terms energy: -702.596574 where: bonds (distance) C4'-P energy: -118.749 bonds (distance) P-C4' energy: -139.291 flat angles C4'-P-C4' energy: -139.617 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -202.369 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: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2246.058487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.058487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.058487 (E_RNA) where: Base-Base interactions energy: -1561.216 where: short stacking energy: -626.375 Base-Backbone interact. energy: -1.258 local terms energy: -683.584767 where: bonds (distance) C4'-P energy: -126.706 bonds (distance) P-C4' energy: -120.609 flat angles C4'-P-C4' energy: -136.927 flat angles P-C4'-P energy: -106.452 tors. eta vs tors. theta energy: -192.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2185.690042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.690042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.690042 (E_RNA) where: Base-Base interactions energy: -1552.284 where: short stacking energy: -616.917 Base-Backbone interact. energy: -2.092 local terms energy: -631.314666 where: bonds (distance) C4'-P energy: -104.444 bonds (distance) P-C4' energy: -115.191 flat angles C4'-P-C4' energy: -140.847 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -181.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2079.370732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.370732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.370732 (E_RNA) where: Base-Base interactions energy: -1440.727 where: short stacking energy: -575.591 Base-Backbone interact. energy: -1.064 local terms energy: -637.579123 where: bonds (distance) C4'-P energy: -105.258 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -132.458 flat angles P-C4'-P energy: -95.708 tors. eta vs tors. theta energy: -186.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1864.825127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.825127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.825127 (E_RNA) where: Base-Base interactions energy: -1311.355 where: short stacking energy: -543.022 Base-Backbone interact. energy: -2.155 local terms energy: -551.314777 where: bonds (distance) C4'-P energy: -99.186 bonds (distance) P-C4' energy: -96.027 flat angles C4'-P-C4' energy: -117.983 flat angles P-C4'-P energy: -80.281 tors. eta vs tors. theta energy: -157.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1616.657976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.657976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.657976 (E_RNA) where: Base-Base interactions energy: -1072.725 where: short stacking energy: -476.496 Base-Backbone interact. energy: 1.289 local terms energy: -545.221600 where: bonds (distance) C4'-P energy: -94.419 bonds (distance) P-C4' energy: -105.331 flat angles C4'-P-C4' energy: -119.545 flat angles P-C4'-P energy: -87.134 tors. eta vs tors. theta energy: -138.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1590.927500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.927500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.927500 (E_RNA) where: Base-Base interactions energy: -1062.605 where: short stacking energy: -466.627 Base-Backbone interact. energy: -1.239 local terms energy: -527.084028 where: bonds (distance) C4'-P energy: -99.418 bonds (distance) P-C4' energy: -113.512 flat angles C4'-P-C4' energy: -114.816 flat angles P-C4'-P energy: -80.309 tors. eta vs tors. theta energy: -119.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1399.157110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.157110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.157110 (E_RNA) where: Base-Base interactions energy: -926.126 where: short stacking energy: -400.631 Base-Backbone interact. energy: 3.645 local terms energy: -476.675789 where: bonds (distance) C4'-P energy: -93.159 bonds (distance) P-C4' energy: -103.217 flat angles C4'-P-C4' energy: -112.365 flat angles P-C4'-P energy: -82.994 tors. eta vs tors. theta energy: -84.940 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: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1267.832490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.832490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.832490 (E_RNA) where: Base-Base interactions energy: -805.815 where: short stacking energy: -360.840 Base-Backbone interact. energy: 16.477 local terms energy: -478.494401 where: bonds (distance) C4'-P energy: -113.438 bonds (distance) P-C4' energy: -92.089 flat angles C4'-P-C4' energy: -122.066 flat angles P-C4'-P energy: -68.631 tors. eta vs tors. theta energy: -82.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -988.970688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.970688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.970688 (E_RNA) where: Base-Base interactions energy: -616.949 where: short stacking energy: -258.454 Base-Backbone interact. energy: 1.389 local terms energy: -373.410385 where: bonds (distance) C4'-P energy: -103.954 bonds (distance) P-C4' energy: -86.887 flat angles C4'-P-C4' energy: -87.950 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -34.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -2282.405790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.405790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.405790 (E_RNA) where: Base-Base interactions energy: -1567.867 where: short stacking energy: -659.443 Base-Backbone interact. energy: 0.169 local terms energy: -714.708020 where: bonds (distance) C4'-P energy: -138.431 bonds (distance) P-C4' energy: -119.948 flat angles C4'-P-C4' energy: -153.149 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -204.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2239.803741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.803741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.803741 (E_RNA) where: Base-Base interactions energy: -1558.488 where: short stacking energy: -645.735 Base-Backbone interact. energy: -0.824 local terms energy: -680.491254 where: bonds (distance) C4'-P energy: -110.808 bonds (distance) P-C4' energy: -132.628 flat angles C4'-P-C4' energy: -139.915 flat angles P-C4'-P energy: -95.728 tors. eta vs tors. theta energy: -201.412 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: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2172.039535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.039535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.039535 (E_RNA) where: Base-Base interactions energy: -1527.711 where: short stacking energy: -607.667 Base-Backbone interact. energy: -4.811 local terms energy: -639.517734 where: bonds (distance) C4'-P energy: -104.458 bonds (distance) P-C4' energy: -117.891 flat angles C4'-P-C4' energy: -143.792 flat angles P-C4'-P energy: -86.249 tors. eta vs tors. theta energy: -187.128 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: 9 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2098.208068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.208068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.208068 (E_RNA) where: Base-Base interactions energy: -1466.104 where: short stacking energy: -599.923 Base-Backbone interact. energy: -2.509 local terms energy: -629.595667 where: bonds (distance) C4'-P energy: -108.697 bonds (distance) P-C4' energy: -113.004 flat angles C4'-P-C4' energy: -129.093 flat angles P-C4'-P energy: -87.458 tors. eta vs tors. theta energy: -191.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1848.800847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.800847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.800847 (E_RNA) where: Base-Base interactions energy: -1257.311 where: short stacking energy: -507.542 Base-Backbone interact. energy: 0.405 local terms energy: -591.894865 where: bonds (distance) C4'-P energy: -98.545 bonds (distance) P-C4' energy: -118.228 flat angles C4'-P-C4' energy: -130.257 flat angles P-C4'-P energy: -103.076 tors. eta vs tors. theta energy: -141.788 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: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1685.848241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.848241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.848241 (E_RNA) where: Base-Base interactions energy: -1123.659 where: short stacking energy: -472.695 Base-Backbone interact. energy: 1.142 local terms energy: -563.331384 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -113.290 flat angles P-C4'-P energy: -83.642 tors. eta vs tors. theta energy: -120.972 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: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1564.645022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.645022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.645022 (E_RNA) where: Base-Base interactions energy: -1041.081 where: short stacking energy: -461.205 Base-Backbone interact. energy: -1.611 local terms energy: -521.953766 where: bonds (distance) C4'-P energy: -107.077 bonds (distance) P-C4' energy: -99.054 flat angles C4'-P-C4' energy: -125.771 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -119.637 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: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1417.888151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.888151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.888151 (E_RNA) where: Base-Base interactions energy: -911.176 where: short stacking energy: -385.555 Base-Backbone interact. energy: 0.212 local terms energy: -506.924336 where: bonds (distance) C4'-P energy: -107.435 bonds (distance) P-C4' energy: -101.509 flat angles C4'-P-C4' energy: -119.760 flat angles P-C4'-P energy: -82.177 tors. eta vs tors. theta energy: -96.043 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: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1228.939786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.939786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.939786 (E_RNA) where: Base-Base interactions energy: -808.562 where: short stacking energy: -342.558 Base-Backbone interact. energy: -1.556 local terms energy: -418.821657 where: bonds (distance) C4'-P energy: -84.479 bonds (distance) P-C4' energy: -105.842 flat angles C4'-P-C4' energy: -101.595 flat angles P-C4'-P energy: -64.531 tors. eta vs tors. theta energy: -62.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1009.904106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.904106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.904106 (E_RNA) where: Base-Base interactions energy: -629.645 where: short stacking energy: -273.465 Base-Backbone interact. energy: 1.037 local terms energy: -381.296347 where: bonds (distance) C4'-P energy: -96.909 bonds (distance) P-C4' energy: -95.632 flat angles C4'-P-C4' energy: -92.004 flat angles P-C4'-P energy: -57.400 tors. eta vs tors. theta energy: -39.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -2294.396994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.396994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.396994 (E_RNA) where: Base-Base interactions energy: -1621.907 where: short stacking energy: -682.626 Base-Backbone interact. energy: -0.516 local terms energy: -671.973993 where: bonds (distance) C4'-P energy: -116.475 bonds (distance) P-C4' energy: -120.955 flat angles C4'-P-C4' energy: -146.908 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -199.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2228.623311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.623311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.623311 (E_RNA) where: Base-Base interactions energy: -1555.774 where: short stacking energy: -637.538 Base-Backbone interact. energy: -1.711 local terms energy: -671.138684 where: bonds (distance) C4'-P energy: -105.125 bonds (distance) P-C4' energy: -124.018 flat angles C4'-P-C4' energy: -146.300 flat angles P-C4'-P energy: -96.280 tors. eta vs tors. theta energy: -199.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2148.505593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.505593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.505593 (E_RNA) where: Base-Base interactions energy: -1527.987 where: short stacking energy: -583.148 Base-Backbone interact. energy: 1.807 local terms energy: -622.325893 where: bonds (distance) C4'-P energy: -109.296 bonds (distance) P-C4' energy: -102.719 flat angles C4'-P-C4' energy: -129.073 flat angles P-C4'-P energy: -100.700 tors. eta vs tors. theta energy: -180.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2061.823170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.823170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.823170 (E_RNA) where: Base-Base interactions energy: -1414.768 where: short stacking energy: -584.023 Base-Backbone interact. energy: -3.601 local terms energy: -643.453810 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -119.529 flat angles C4'-P-C4' energy: -135.008 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -182.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1883.177323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.177323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.177323 (E_RNA) where: Base-Base interactions energy: -1303.521 where: short stacking energy: -541.556 Base-Backbone interact. energy: 1.451 local terms energy: -581.106769 where: bonds (distance) C4'-P energy: -103.398 bonds (distance) P-C4' energy: -124.256 flat angles C4'-P-C4' energy: -129.706 flat angles P-C4'-P energy: -83.858 tors. eta vs tors. theta energy: -139.889 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: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1653.298683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.298683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.298683 (E_RNA) where: Base-Base interactions energy: -1105.646 where: short stacking energy: -476.307 Base-Backbone interact. energy: -1.118 local terms energy: -546.534417 where: bonds (distance) C4'-P energy: -100.448 bonds (distance) P-C4' energy: -108.801 flat angles C4'-P-C4' energy: -123.356 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -137.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1584.011686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.011686 (E_RNA) where: Base-Base interactions energy: -1029.230 where: short stacking energy: -437.050 Base-Backbone interact. energy: -2.112 local terms energy: -552.669393 where: bonds (distance) C4'-P energy: -109.616 bonds (distance) P-C4' energy: -125.681 flat angles C4'-P-C4' energy: -108.643 flat angles P-C4'-P energy: -73.119 tors. eta vs tors. theta energy: -135.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1379.387257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.387257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.387257 (E_RNA) where: Base-Base interactions energy: -892.569 where: short stacking energy: -398.123 Base-Backbone interact. energy: -2.043 local terms energy: -484.774507 where: bonds (distance) C4'-P energy: -102.175 bonds (distance) P-C4' energy: -98.127 flat angles C4'-P-C4' energy: -121.028 flat angles P-C4'-P energy: -58.002 tors. eta vs tors. theta energy: -105.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1311.541705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.541705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.541705 (E_RNA) where: Base-Base interactions energy: -849.895 where: short stacking energy: -378.592 Base-Backbone interact. energy: -0.669 local terms energy: -460.977435 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -94.836 flat angles C4'-P-C4' energy: -114.042 flat angles P-C4'-P energy: -59.496 tors. eta vs tors. theta energy: -92.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1026.385195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.385195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.385195 (E_RNA) where: Base-Base interactions energy: -635.431 where: short stacking energy: -270.744 Base-Backbone interact. energy: 1.968 local terms energy: -392.921824 where: bonds (distance) C4'-P energy: -98.268 bonds (distance) P-C4' energy: -96.019 flat angles C4'-P-C4' energy: -103.611 flat angles P-C4'-P energy: -56.803 tors. eta vs tors. theta energy: -38.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -2284.883303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.883303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.883303 (E_RNA) where: Base-Base interactions energy: -1593.171 where: short stacking energy: -659.093 Base-Backbone interact. energy: 1.271 local terms energy: -692.983729 where: bonds (distance) C4'-P energy: -130.050 bonds (distance) P-C4' energy: -125.268 flat angles C4'-P-C4' energy: -136.520 flat angles P-C4'-P energy: -95.680 tors. eta vs tors. theta energy: -205.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2252.181931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.181931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.181931 (E_RNA) where: Base-Base interactions energy: -1546.449 where: short stacking energy: -654.869 Base-Backbone interact. energy: -0.611 local terms energy: -705.121138 where: bonds (distance) C4'-P energy: -132.077 bonds (distance) P-C4' energy: -126.211 flat angles C4'-P-C4' energy: -149.555 flat angles P-C4'-P energy: -93.448 tors. eta vs tors. theta energy: -203.831 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: 3, replica: 10 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2175.103299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.103299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.103299 (E_RNA) where: Base-Base interactions energy: -1545.555 where: short stacking energy: -607.321 Base-Backbone interact. energy: -5.374 local terms energy: -624.173808 where: bonds (distance) C4'-P energy: -111.319 bonds (distance) P-C4' energy: -120.441 flat angles C4'-P-C4' energy: -119.514 flat angles P-C4'-P energy: -88.716 tors. eta vs tors. theta energy: -184.183 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: 250 Temperature: 1.050000 Total energy: -2062.775216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.775216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.775216 (E_RNA) where: Base-Base interactions energy: -1418.466 where: short stacking energy: -599.219 Base-Backbone interact. energy: -2.085 local terms energy: -642.224328 where: bonds (distance) C4'-P energy: -104.955 bonds (distance) P-C4' energy: -112.630 flat angles C4'-P-C4' energy: -141.176 flat angles P-C4'-P energy: -100.706 tors. eta vs tors. theta energy: -182.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1875.164286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.164286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.164286 (E_RNA) where: Base-Base interactions energy: -1297.772 where: short stacking energy: -550.852 Base-Backbone interact. energy: -0.175 local terms energy: -577.216473 where: bonds (distance) C4'-P energy: -81.553 bonds (distance) P-C4' energy: -117.602 flat angles C4'-P-C4' energy: -131.573 flat angles P-C4'-P energy: -96.009 tors. eta vs tors. theta energy: -150.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1648.653076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.653076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.653076 (E_RNA) where: Base-Base interactions energy: -1112.313 where: short stacking energy: -447.348 Base-Backbone interact. energy: 0.086 local terms energy: -536.426125 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -104.602 flat angles C4'-P-C4' energy: -125.787 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -130.103 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1532.038699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.038699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.038699 (E_RNA) where: Base-Base interactions energy: -1015.711 where: short stacking energy: -442.834 Base-Backbone interact. energy: 0.180 local terms energy: -516.508516 where: bonds (distance) C4'-P energy: -105.502 bonds (distance) P-C4' energy: -112.769 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -111.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1387.139004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.139004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.139004 (E_RNA) where: Base-Base interactions energy: -916.674 where: short stacking energy: -391.096 Base-Backbone interact. energy: 1.557 local terms energy: -472.021261 where: bonds (distance) C4'-P energy: -95.827 bonds (distance) P-C4' energy: -97.894 flat angles C4'-P-C4' energy: -111.181 flat angles P-C4'-P energy: -75.676 tors. eta vs tors. theta energy: -91.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1302.458674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.458674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.458674 (E_RNA) where: Base-Base interactions energy: -822.621 where: short stacking energy: -336.519 Base-Backbone interact. energy: -0.817 local terms energy: -479.020341 where: bonds (distance) C4'-P energy: -92.805 bonds (distance) P-C4' energy: -97.734 flat angles C4'-P-C4' energy: -114.196 flat angles P-C4'-P energy: -86.386 tors. eta vs tors. theta energy: -87.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1010.107521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.107521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.107521 (E_RNA) where: Base-Base interactions energy: -611.925 where: short stacking energy: -285.101 Base-Backbone interact. energy: -1.605 local terms energy: -396.576924 where: bonds (distance) C4'-P energy: -93.954 bonds (distance) P-C4' energy: -95.423 flat angles C4'-P-C4' energy: -94.945 flat angles P-C4'-P energy: -62.357 tors. eta vs tors. theta energy: -49.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -2298.338480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.338480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.338480 (E_RNA) where: Base-Base interactions energy: -1603.653 where: short stacking energy: -660.528 Base-Backbone interact. energy: -0.685 local terms energy: -694.000932 where: bonds (distance) C4'-P energy: -125.192 bonds (distance) P-C4' energy: -123.556 flat angles C4'-P-C4' energy: -141.865 flat angles P-C4'-P energy: -106.473 tors. eta vs tors. theta energy: -196.915 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: 8 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2250.797782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.797782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.797782 (E_RNA) where: Base-Base interactions energy: -1561.316 where: short stacking energy: -660.156 Base-Backbone interact. energy: -1.220 local terms energy: -688.261577 where: bonds (distance) C4'-P energy: -115.098 bonds (distance) P-C4' energy: -128.970 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -100.787 tors. eta vs tors. theta energy: -200.479 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: 10 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2215.905253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.905253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.905253 (E_RNA) where: Base-Base interactions energy: -1545.544 where: short stacking energy: -623.531 Base-Backbone interact. energy: -0.946 local terms energy: -669.415396 where: bonds (distance) C4'-P energy: -112.713 bonds (distance) P-C4' energy: -130.635 flat angles C4'-P-C4' energy: -143.560 flat angles P-C4'-P energy: -87.390 tors. eta vs tors. theta energy: -195.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2083.069395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.069395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.069395 (E_RNA) where: Base-Base interactions energy: -1457.941 where: short stacking energy: -611.783 Base-Backbone interact. energy: -0.806 local terms energy: -624.322116 where: bonds (distance) C4'-P energy: -106.484 bonds (distance) P-C4' energy: -116.564 flat angles C4'-P-C4' energy: -127.825 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -192.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1867.501525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.501525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.501525 (E_RNA) where: Base-Base interactions energy: -1277.083 where: short stacking energy: -531.794 Base-Backbone interact. energy: -2.984 local terms energy: -587.434471 where: bonds (distance) C4'-P energy: -111.874 bonds (distance) P-C4' energy: -104.358 flat angles C4'-P-C4' energy: -121.680 flat angles P-C4'-P energy: -92.659 tors. eta vs tors. theta energy: -156.863 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: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1636.445402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.445402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.445402 (E_RNA) where: Base-Base interactions energy: -1097.783 where: short stacking energy: -447.858 Base-Backbone interact. energy: -2.467 local terms energy: -536.194441 where: bonds (distance) C4'-P energy: -113.785 bonds (distance) P-C4' energy: -97.222 flat angles C4'-P-C4' energy: -118.274 flat angles P-C4'-P energy: -81.929 tors. eta vs tors. theta energy: -124.984 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: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1513.418580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.418580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.418580 (E_RNA) where: Base-Base interactions energy: -988.662 where: short stacking energy: -404.238 Base-Backbone interact. energy: 0.315 local terms energy: -525.071483 where: bonds (distance) C4'-P energy: -84.852 bonds (distance) P-C4' energy: -120.616 flat angles C4'-P-C4' energy: -124.769 flat angles P-C4'-P energy: -89.358 tors. eta vs tors. theta energy: -105.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1392.380628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.380628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.380628 (E_RNA) where: Base-Base interactions energy: -921.759 where: short stacking energy: -368.517 Base-Backbone interact. energy: -1.098 local terms energy: -469.523777 where: bonds (distance) C4'-P energy: -119.852 bonds (distance) P-C4' energy: -96.653 flat angles C4'-P-C4' energy: -107.666 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -81.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1282.632483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.632483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.632483 (E_RNA) where: Base-Base interactions energy: -839.993 where: short stacking energy: -360.254 Base-Backbone interact. energy: -1.705 local terms energy: -440.934140 where: bonds (distance) C4'-P energy: -85.210 bonds (distance) P-C4' energy: -107.997 flat angles C4'-P-C4' energy: -118.924 flat angles P-C4'-P energy: -48.855 tors. eta vs tors. theta energy: -79.948 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: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1008.450869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.450869 (E_RNA) where: Base-Base interactions energy: -631.597 where: short stacking energy: -281.645 Base-Backbone interact. energy: -0.903 local terms energy: -375.951088 where: bonds (distance) C4'-P energy: -79.073 bonds (distance) P-C4' energy: -98.704 flat angles C4'-P-C4' energy: -87.662 flat angles P-C4'-P energy: -65.833 tors. eta vs tors. theta energy: -44.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -2264.202436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.202436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.202436 (E_RNA) where: Base-Base interactions energy: -1568.778 where: short stacking energy: -644.306 Base-Backbone interact. energy: -0.699 local terms energy: -694.725940 where: bonds (distance) C4'-P energy: -123.333 bonds (distance) P-C4' energy: -120.253 flat angles C4'-P-C4' energy: -149.180 flat angles P-C4'-P energy: -99.996 tors. eta vs tors. theta energy: -201.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2217.989783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.989783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.989783 (E_RNA) where: Base-Base interactions energy: -1549.022 where: short stacking energy: -643.347 Base-Backbone interact. energy: 2.209 local terms energy: -671.176695 where: bonds (distance) C4'-P energy: -116.531 bonds (distance) P-C4' energy: -132.521 flat angles C4'-P-C4' energy: -137.066 flat angles P-C4'-P energy: -91.422 tors. eta vs tors. theta energy: -193.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2177.753075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.753075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.753075 (E_RNA) where: Base-Base interactions energy: -1521.202 where: short stacking energy: -592.734 Base-Backbone interact. energy: -3.300 local terms energy: -653.250905 where: bonds (distance) C4'-P energy: -117.238 bonds (distance) P-C4' energy: -123.011 flat angles C4'-P-C4' energy: -120.721 flat angles P-C4'-P energy: -109.654 tors. eta vs tors. theta energy: -182.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2101.191965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.191965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.191965 (E_RNA) where: Base-Base interactions energy: -1450.199 where: short stacking energy: -603.246 Base-Backbone interact. energy: -1.274 local terms energy: -649.718474 where: bonds (distance) C4'-P energy: -100.332 bonds (distance) P-C4' energy: -122.695 flat angles C4'-P-C4' energy: -134.067 flat angles P-C4'-P energy: -102.166 tors. eta vs tors. theta energy: -190.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1839.521082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.521082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.521082 (E_RNA) where: Base-Base interactions energy: -1263.471 where: short stacking energy: -513.786 Base-Backbone interact. energy: -3.339 local terms energy: -572.710620 where: bonds (distance) C4'-P energy: -108.540 bonds (distance) P-C4' energy: -100.169 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -93.317 tors. eta vs tors. theta energy: -146.821 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: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1616.274063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.274063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.274063 (E_RNA) where: Base-Base interactions energy: -1080.130 where: short stacking energy: -478.306 Base-Backbone interact. energy: 0.693 local terms energy: -536.837491 where: bonds (distance) C4'-P energy: -94.929 bonds (distance) P-C4' energy: -104.943 flat angles C4'-P-C4' energy: -107.570 flat angles P-C4'-P energy: -86.882 tors. eta vs tors. theta energy: -142.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1535.685477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.685477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.685477 (E_RNA) where: Base-Base interactions energy: -1017.112 where: short stacking energy: -461.776 Base-Backbone interact. energy: -0.332 local terms energy: -518.241589 where: bonds (distance) C4'-P energy: -93.139 bonds (distance) P-C4' energy: -109.515 flat angles C4'-P-C4' energy: -123.582 flat angles P-C4'-P energy: -74.784 tors. eta vs tors. theta energy: -117.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1522.229956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.229956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.229956 (E_RNA) where: Base-Base interactions energy: -1017.500 where: short stacking energy: -415.615 Base-Backbone interact. energy: -0.221 local terms energy: -504.509734 where: bonds (distance) C4'-P energy: -88.708 bonds (distance) P-C4' energy: -115.712 flat angles C4'-P-C4' energy: -120.889 flat angles P-C4'-P energy: -67.636 tors. eta vs tors. theta energy: -111.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1244.945961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.945961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.945961 (E_RNA) where: Base-Base interactions energy: -793.784 where: short stacking energy: -347.516 Base-Backbone interact. energy: 0.602 local terms energy: -451.763621 where: bonds (distance) C4'-P energy: -107.367 bonds (distance) P-C4' energy: -104.721 flat angles C4'-P-C4' energy: -93.640 flat angles P-C4'-P energy: -72.042 tors. eta vs tors. theta energy: -73.994 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: 252 Temperature: 1.350000 Total energy: -1057.896238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.896238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.896238 (E_RNA) where: Base-Base interactions energy: -659.814 where: short stacking energy: -289.380 Base-Backbone interact. energy: -2.723 local terms energy: -395.358443 where: bonds (distance) C4'-P energy: -110.225 bonds (distance) P-C4' energy: -104.663 flat angles C4'-P-C4' energy: -91.194 flat angles P-C4'-P energy: -40.793 tors. eta vs tors. theta energy: -48.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -2268.333925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.333925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.333925 (E_RNA) where: Base-Base interactions energy: -1585.995 where: short stacking energy: -673.361 Base-Backbone interact. energy: -0.526 local terms energy: -681.812883 where: bonds (distance) C4'-P energy: -120.281 bonds (distance) P-C4' energy: -115.329 flat angles C4'-P-C4' energy: -144.080 flat angles P-C4'-P energy: -99.707 tors. eta vs tors. theta energy: -202.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2207.657223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.657223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.657223 (E_RNA) where: Base-Base interactions energy: -1549.686 where: short stacking energy: -632.316 Base-Backbone interact. energy: 2.001 local terms energy: -659.972200 where: bonds (distance) C4'-P energy: -118.451 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -125.806 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -188.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2155.412784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.412784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.412784 (E_RNA) where: Base-Base interactions energy: -1517.428 where: short stacking energy: -584.803 Base-Backbone interact. energy: -1.318 local terms energy: -636.667616 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -111.447 flat angles C4'-P-C4' energy: -137.729 flat angles P-C4'-P energy: -92.027 tors. eta vs tors. theta energy: -186.888 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: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2057.050759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.050759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.050759 (E_RNA) where: Base-Base interactions energy: -1435.164 where: short stacking energy: -626.134 Base-Backbone interact. energy: -2.920 local terms energy: -618.966633 where: bonds (distance) C4'-P energy: -95.081 bonds (distance) P-C4' energy: -106.527 flat angles C4'-P-C4' energy: -124.002 flat angles P-C4'-P energy: -97.052 tors. eta vs tors. theta energy: -196.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1822.184289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.184289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.184289 (E_RNA) where: Base-Base interactions energy: -1229.970 where: short stacking energy: -518.832 Base-Backbone interact. energy: -2.565 local terms energy: -589.649504 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -112.362 flat angles C4'-P-C4' energy: -126.811 flat angles P-C4'-P energy: -99.792 tors. eta vs tors. theta energy: -139.729 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: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1646.205846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.205846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.205846 (E_RNA) where: Base-Base interactions energy: -1099.765 where: short stacking energy: -485.638 Base-Backbone interact. energy: 3.335 local terms energy: -549.775798 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -130.187 flat angles P-C4'-P energy: -72.857 tors. eta vs tors. theta energy: -141.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1535.509023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.509023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.509023 (E_RNA) where: Base-Base interactions energy: -1008.371 where: short stacking energy: -445.302 Base-Backbone interact. energy: -2.056 local terms energy: -525.082439 where: bonds (distance) C4'-P energy: -101.842 bonds (distance) P-C4' energy: -113.856 flat angles C4'-P-C4' energy: -113.875 flat angles P-C4'-P energy: -77.966 tors. eta vs tors. theta energy: -117.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1519.662001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.662001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.662001 (E_RNA) where: Base-Base interactions energy: -1054.103 where: short stacking energy: -439.408 Base-Backbone interact. energy: -1.551 local terms energy: -464.008364 where: bonds (distance) C4'-P energy: -98.102 bonds (distance) P-C4' energy: -103.435 flat angles C4'-P-C4' energy: -93.481 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -111.143 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: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1289.196976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.196976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.196976 (E_RNA) where: Base-Base interactions energy: -807.865 where: short stacking energy: -356.525 Base-Backbone interact. energy: -3.868 local terms energy: -477.464263 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -101.404 flat angles C4'-P-C4' energy: -108.927 flat angles P-C4'-P energy: -63.882 tors. eta vs tors. theta energy: -91.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1041.960027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.960027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.960027 (E_RNA) where: Base-Base interactions energy: -631.501 where: short stacking energy: -289.104 Base-Backbone interact. energy: 4.003 local terms energy: -414.461524 where: bonds (distance) C4'-P energy: -84.580 bonds (distance) P-C4' energy: -96.889 flat angles C4'-P-C4' energy: -107.926 flat angles P-C4'-P energy: -75.450 tors. eta vs tors. theta energy: -49.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -2298.817159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.817159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.817159 (E_RNA) where: Base-Base interactions energy: -1591.532 where: short stacking energy: -674.578 Base-Backbone interact. energy: 1.432 local terms energy: -708.717288 where: bonds (distance) C4'-P energy: -129.142 bonds (distance) P-C4' energy: -136.611 flat angles C4'-P-C4' energy: -137.770 flat angles P-C4'-P energy: -103.304 tors. eta vs tors. theta energy: -201.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2224.463199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.463199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.463199 (E_RNA) where: Base-Base interactions energy: -1550.805 where: short stacking energy: -648.942 Base-Backbone interact. energy: -2.566 local terms energy: -671.092472 where: bonds (distance) C4'-P energy: -107.809 bonds (distance) P-C4' energy: -129.567 flat angles C4'-P-C4' energy: -138.190 flat angles P-C4'-P energy: -101.831 tors. eta vs tors. theta energy: -193.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2142.301906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.301906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.301906 (E_RNA) where: Base-Base interactions energy: -1508.621 where: short stacking energy: -611.147 Base-Backbone interact. energy: -1.158 local terms energy: -632.522989 where: bonds (distance) C4'-P energy: -110.815 bonds (distance) P-C4' energy: -108.407 flat angles C4'-P-C4' energy: -125.527 flat angles P-C4'-P energy: -104.998 tors. eta vs tors. theta energy: -182.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2051.644875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.644875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.644875 (E_RNA) where: Base-Base interactions energy: -1428.536 where: short stacking energy: -579.474 Base-Backbone interact. energy: -3.640 local terms energy: -619.468254 where: bonds (distance) C4'-P energy: -118.473 bonds (distance) P-C4' energy: -104.384 flat angles C4'-P-C4' energy: -128.471 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -181.862 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: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1847.166143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.166143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.166143 (E_RNA) where: Base-Base interactions energy: -1260.227 where: short stacking energy: -513.959 Base-Backbone interact. energy: -2.671 local terms energy: -584.268471 where: bonds (distance) C4'-P energy: -107.627 bonds (distance) P-C4' energy: -113.651 flat angles C4'-P-C4' energy: -137.662 flat angles P-C4'-P energy: -81.811 tors. eta vs tors. theta energy: -143.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1653.033488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.033488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.033488 (E_RNA) where: Base-Base interactions energy: -1094.774 where: short stacking energy: -492.405 Base-Backbone interact. energy: -2.926 local terms energy: -555.333563 where: bonds (distance) C4'-P energy: -105.295 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -119.066 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -134.156 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: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1612.546054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.546054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.546054 (E_RNA) where: Base-Base interactions energy: -1077.374 where: short stacking energy: -454.341 Base-Backbone interact. energy: 2.275 local terms energy: -537.446606 where: bonds (distance) C4'-P energy: -101.944 bonds (distance) P-C4' energy: -114.101 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -71.757 tors. eta vs tors. theta energy: -117.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1474.114126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.114126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.114126 (E_RNA) where: Base-Base interactions energy: -973.793 where: short stacking energy: -406.188 Base-Backbone interact. energy: -0.936 local terms energy: -499.385817 where: bonds (distance) C4'-P energy: -101.737 bonds (distance) P-C4' energy: -101.283 flat angles C4'-P-C4' energy: -111.866 flat angles P-C4'-P energy: -79.719 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: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1316.428559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.428559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.428559 (E_RNA) where: Base-Base interactions energy: -863.963 where: short stacking energy: -382.103 Base-Backbone interact. energy: 0.603 local terms energy: -453.068691 where: bonds (distance) C4'-P energy: -111.567 bonds (distance) P-C4' energy: -95.199 flat angles C4'-P-C4' energy: -107.778 flat angles P-C4'-P energy: -48.858 tors. eta vs tors. theta energy: -89.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -947.509992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.509992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.509992 (E_RNA) where: Base-Base interactions energy: -602.603 where: short stacking energy: -277.781 Base-Backbone interact. energy: 4.851 local terms energy: -349.757917 where: bonds (distance) C4'-P energy: -72.486 bonds (distance) P-C4' energy: -88.409 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -37.266 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: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -2273.069169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.069169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.069169 (E_RNA) where: Base-Base interactions energy: -1599.621 where: short stacking energy: -664.717 Base-Backbone interact. energy: -1.455 local terms energy: -671.993114 where: bonds (distance) C4'-P energy: -124.828 bonds (distance) P-C4' energy: -112.404 flat angles C4'-P-C4' energy: -140.143 flat angles P-C4'-P energy: -96.489 tors. eta vs tors. theta energy: -198.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2226.323210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.323210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.323210 (E_RNA) where: Base-Base interactions energy: -1546.828 where: short stacking energy: -630.721 Base-Backbone interact. energy: -3.045 local terms energy: -676.450481 where: bonds (distance) C4'-P energy: -129.123 bonds (distance) P-C4' energy: -111.589 flat angles C4'-P-C4' energy: -143.050 flat angles P-C4'-P energy: -99.096 tors. eta vs tors. theta energy: -193.592 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: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2164.872336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.872336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.872336 (E_RNA) where: Base-Base interactions energy: -1520.542 where: short stacking energy: -616.421 Base-Backbone interact. energy: -2.065 local terms energy: -642.266057 where: bonds (distance) C4'-P energy: -104.958 bonds (distance) P-C4' energy: -130.646 flat angles C4'-P-C4' energy: -122.778 flat angles P-C4'-P energy: -99.754 tors. eta vs tors. theta energy: -184.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2102.044099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.044099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.044099 (E_RNA) where: Base-Base interactions energy: -1457.273 where: short stacking energy: -613.840 Base-Backbone interact. energy: -4.126 local terms energy: -640.645429 where: bonds (distance) C4'-P energy: -121.569 bonds (distance) P-C4' energy: -113.072 flat angles C4'-P-C4' energy: -131.540 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -193.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1928.944564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.944564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.944564 (E_RNA) where: Base-Base interactions energy: -1331.235 where: short stacking energy: -550.803 Base-Backbone interact. energy: -0.002 local terms energy: -597.707361 where: bonds (distance) C4'-P energy: -121.507 bonds (distance) P-C4' energy: -99.765 flat angles C4'-P-C4' energy: -131.824 flat angles P-C4'-P energy: -81.721 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: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1639.327461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.327461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.327461 (E_RNA) where: Base-Base interactions energy: -1101.102 where: short stacking energy: -476.900 Base-Backbone interact. energy: -1.488 local terms energy: -536.738445 where: bonds (distance) C4'-P energy: -104.627 bonds (distance) P-C4' energy: -99.439 flat angles C4'-P-C4' energy: -123.895 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -129.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1581.755298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.755298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.755298 (E_RNA) where: Base-Base interactions energy: -1066.640 where: short stacking energy: -483.086 Base-Backbone interact. energy: -0.779 local terms energy: -514.336114 where: bonds (distance) C4'-P energy: -90.973 bonds (distance) P-C4' energy: -102.624 flat angles C4'-P-C4' energy: -123.489 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -122.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1480.823504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.823504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.823504 (E_RNA) where: Base-Base interactions energy: -1001.323 where: short stacking energy: -448.436 Base-Backbone interact. energy: 2.207 local terms energy: -481.708054 where: bonds (distance) C4'-P energy: -97.981 bonds (distance) P-C4' energy: -88.467 flat angles C4'-P-C4' energy: -104.854 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -116.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1289.619280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.619280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.619280 (E_RNA) where: Base-Base interactions energy: -828.412 where: short stacking energy: -382.769 Base-Backbone interact. energy: -0.384 local terms energy: -460.822530 where: bonds (distance) C4'-P energy: -96.095 bonds (distance) P-C4' energy: -89.619 flat angles C4'-P-C4' energy: -126.228 flat angles P-C4'-P energy: -61.181 tors. eta vs tors. theta energy: -87.700 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: 7 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1051.687682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.687682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.687682 (E_RNA) where: Base-Base interactions energy: -678.262 where: short stacking energy: -279.214 Base-Backbone interact. energy: 2.027 local terms energy: -375.452621 where: bonds (distance) C4'-P energy: -79.201 bonds (distance) P-C4' energy: -106.067 flat angles C4'-P-C4' energy: -85.623 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -41.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -2271.251877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.251877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.251877 (E_RNA) where: Base-Base interactions energy: -1580.264 where: short stacking energy: -659.364 Base-Backbone interact. energy: -0.317 local terms energy: -690.671747 where: bonds (distance) C4'-P energy: -127.135 bonds (distance) P-C4' energy: -112.322 flat angles C4'-P-C4' energy: -139.897 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -208.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2220.669460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.669460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.669460 (E_RNA) where: Base-Base interactions energy: -1568.740 where: short stacking energy: -641.409 Base-Backbone interact. energy: -1.357 local terms energy: -650.571810 where: bonds (distance) C4'-P energy: -118.695 bonds (distance) P-C4' energy: -111.248 flat angles C4'-P-C4' energy: -135.777 flat angles P-C4'-P energy: -90.203 tors. eta vs tors. theta energy: -194.648 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: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2194.540870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.540870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.540870 (E_RNA) where: Base-Base interactions energy: -1550.929 where: short stacking energy: -608.206 Base-Backbone interact. energy: -5.082 local terms energy: -638.529828 where: bonds (distance) C4'-P energy: -115.485 bonds (distance) P-C4' energy: -114.486 flat angles C4'-P-C4' energy: -125.066 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -182.594 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: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2057.103520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.103520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.103520 (E_RNA) where: Base-Base interactions energy: -1438.353 where: short stacking energy: -588.414 Base-Backbone interact. energy: -1.039 local terms energy: -617.712184 where: bonds (distance) C4'-P energy: -103.657 bonds (distance) P-C4' energy: -103.859 flat angles C4'-P-C4' energy: -130.221 flat angles P-C4'-P energy: -90.989 tors. eta vs tors. theta energy: -188.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1903.548212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.548212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.548212 (E_RNA) where: Base-Base interactions energy: -1303.231 where: short stacking energy: -517.218 Base-Backbone interact. energy: 0.532 local terms energy: -600.849615 where: bonds (distance) C4'-P energy: -121.887 bonds (distance) P-C4' energy: -121.742 flat angles C4'-P-C4' energy: -132.303 flat angles P-C4'-P energy: -80.197 tors. eta vs tors. theta energy: -144.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1664.855091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.855091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.855091 (E_RNA) where: Base-Base interactions energy: -1150.871 where: short stacking energy: -513.984 Base-Backbone interact. energy: -0.656 local terms energy: -513.327706 where: bonds (distance) C4'-P energy: -99.353 bonds (distance) P-C4' energy: -98.808 flat angles C4'-P-C4' energy: -120.760 flat angles P-C4'-P energy: -65.857 tors. eta vs tors. theta energy: -128.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1585.595678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.595678 (E_RNA) where: Base-Base interactions energy: -1058.184 where: short stacking energy: -428.308 Base-Backbone interact. energy: 1.584 local terms energy: -528.995853 where: bonds (distance) C4'-P energy: -115.126 bonds (distance) P-C4' energy: -109.767 flat angles C4'-P-C4' energy: -109.974 flat angles P-C4'-P energy: -70.153 tors. eta vs tors. theta energy: -123.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1475.671343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.671343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.671343 (E_RNA) where: Base-Base interactions energy: -981.362 where: short stacking energy: -416.191 Base-Backbone interact. energy: -2.354 local terms energy: -491.954672 where: bonds (distance) C4'-P energy: -104.122 bonds (distance) P-C4' energy: -104.173 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -71.784 tors. eta vs tors. theta energy: -101.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1246.627838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.627838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.627838 (E_RNA) where: Base-Base interactions energy: -802.474 where: short stacking energy: -367.587 Base-Backbone interact. energy: 5.792 local terms energy: -449.945890 where: bonds (distance) C4'-P energy: -95.323 bonds (distance) P-C4' energy: -99.153 flat angles C4'-P-C4' energy: -111.610 flat angles P-C4'-P energy: -67.672 tors. eta vs tors. theta energy: -76.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1044.253398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.253398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.253398 (E_RNA) where: Base-Base interactions energy: -650.808 where: short stacking energy: -288.400 Base-Backbone interact. energy: 3.529 local terms energy: -396.974061 where: bonds (distance) C4'-P energy: -104.394 bonds (distance) P-C4' energy: -111.685 flat angles C4'-P-C4' energy: -95.091 flat angles P-C4'-P energy: -50.991 tors. eta vs tors. theta energy: -34.814 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: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -2285.168731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.168731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.168731 (E_RNA) where: Base-Base interactions energy: -1607.296 where: short stacking energy: -660.424 Base-Backbone interact. energy: -2.413 local terms energy: -675.459064 where: bonds (distance) C4'-P energy: -120.569 bonds (distance) P-C4' energy: -117.453 flat angles C4'-P-C4' energy: -140.723 flat angles P-C4'-P energy: -103.960 tors. eta vs tors. theta energy: -192.753 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2207.435067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.435067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.435067 (E_RNA) where: Base-Base interactions energy: -1563.534 where: short stacking energy: -597.066 Base-Backbone interact. energy: -3.054 local terms energy: -640.847641 where: bonds (distance) C4'-P energy: -94.497 bonds (distance) P-C4' energy: -124.591 flat angles C4'-P-C4' energy: -140.974 flat angles P-C4'-P energy: -90.571 tors. eta vs tors. theta energy: -190.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2160.966521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.966521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.966521 (E_RNA) where: Base-Base interactions energy: -1514.111 where: short stacking energy: -610.259 Base-Backbone interact. energy: -2.606 local terms energy: -644.248978 where: bonds (distance) C4'-P energy: -115.598 bonds (distance) P-C4' energy: -111.688 flat angles C4'-P-C4' energy: -125.063 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -192.731 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: 257 Temperature: 1.050000 Total energy: -2077.803095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.803095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.803095 (E_RNA) where: Base-Base interactions energy: -1435.412 where: short stacking energy: -593.355 Base-Backbone interact. energy: 0.159 local terms energy: -642.550791 where: bonds (distance) C4'-P energy: -110.601 bonds (distance) P-C4' energy: -110.103 flat angles C4'-P-C4' energy: -135.669 flat angles P-C4'-P energy: -92.395 tors. eta vs tors. theta energy: -193.782 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: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1929.946766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.946766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.946766 (E_RNA) where: Base-Base interactions energy: -1320.918 where: short stacking energy: -530.109 Base-Backbone interact. energy: 0.600 local terms energy: -609.628435 where: bonds (distance) C4'-P energy: -120.629 bonds (distance) P-C4' energy: -115.505 flat angles C4'-P-C4' energy: -133.872 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -157.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1697.356685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.356685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.356685 (E_RNA) where: Base-Base interactions energy: -1161.882 where: short stacking energy: -512.854 Base-Backbone interact. energy: -2.421 local terms energy: -533.053072 where: bonds (distance) C4'-P energy: -97.802 bonds (distance) P-C4' energy: -96.836 flat angles C4'-P-C4' energy: -126.750 flat angles P-C4'-P energy: -67.184 tors. eta vs tors. theta energy: -144.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1544.021684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.021684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.021684 (E_RNA) where: Base-Base interactions energy: -1037.825 where: short stacking energy: -448.003 Base-Backbone interact. energy: -2.063 local terms energy: -504.133392 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -105.302 flat angles C4'-P-C4' energy: -116.490 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -122.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1497.563915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.563915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.563915 (E_RNA) where: Base-Base interactions energy: -996.754 where: short stacking energy: -426.253 Base-Backbone interact. energy: -1.103 local terms energy: -499.706264 where: bonds (distance) C4'-P energy: -107.271 bonds (distance) P-C4' energy: -113.883 flat angles C4'-P-C4' energy: -110.680 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -104.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1285.723022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.723022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.723022 (E_RNA) where: Base-Base interactions energy: -811.366 where: short stacking energy: -361.769 Base-Backbone interact. energy: 3.807 local terms energy: -478.164173 where: bonds (distance) C4'-P energy: -95.253 bonds (distance) P-C4' energy: -96.153 flat angles C4'-P-C4' energy: -115.910 flat angles P-C4'-P energy: -85.373 tors. eta vs tors. theta energy: -85.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -999.326399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.326399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.326399 (E_RNA) where: Base-Base interactions energy: -641.478 where: short stacking energy: -280.036 Base-Backbone interact. energy: -3.161 local terms energy: -354.687210 where: bonds (distance) C4'-P energy: -74.379 bonds (distance) P-C4' energy: -94.848 flat angles C4'-P-C4' energy: -91.627 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -54.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -2270.776609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.776609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.776609 (E_RNA) where: Base-Base interactions energy: -1575.220 where: short stacking energy: -653.603 Base-Backbone interact. energy: -1.228 local terms energy: -694.328485 where: bonds (distance) C4'-P energy: -114.583 bonds (distance) P-C4' energy: -124.036 flat angles C4'-P-C4' energy: -143.878 flat angles P-C4'-P energy: -109.167 tors. eta vs tors. theta energy: -202.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2226.125640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.125640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.125640 (E_RNA) where: Base-Base interactions energy: -1559.033 where: short stacking energy: -619.341 Base-Backbone interact. energy: -4.260 local terms energy: -662.832724 where: bonds (distance) C4'-P energy: -117.391 bonds (distance) P-C4' energy: -122.325 flat angles C4'-P-C4' energy: -138.995 flat angles P-C4'-P energy: -100.135 tors. eta vs tors. theta energy: -183.987 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: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2164.445747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.445747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.445747 (E_RNA) where: Base-Base interactions energy: -1525.143 where: short stacking energy: -644.176 Base-Backbone interact. energy: -0.808 local terms energy: -638.494949 where: bonds (distance) C4'-P energy: -108.125 bonds (distance) P-C4' energy: -110.079 flat angles C4'-P-C4' energy: -138.946 flat angles P-C4'-P energy: -88.349 tors. eta vs tors. theta energy: -192.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2120.914008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.914008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.914008 (E_RNA) where: Base-Base interactions energy: -1462.521 where: short stacking energy: -594.287 Base-Backbone interact. energy: 3.662 local terms energy: -662.055206 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -123.541 flat angles C4'-P-C4' energy: -138.250 flat angles P-C4'-P energy: -86.837 tors. eta vs tors. theta energy: -189.908 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: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1915.882000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.882000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.882000 (E_RNA) where: Base-Base interactions energy: -1323.072 where: short stacking energy: -548.609 Base-Backbone interact. energy: -3.309 local terms energy: -589.501912 where: bonds (distance) C4'-P energy: -107.080 bonds (distance) P-C4' energy: -119.078 flat angles C4'-P-C4' energy: -115.026 flat angles P-C4'-P energy: -92.568 tors. eta vs tors. theta energy: -155.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1714.427401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.427401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.427401 (E_RNA) where: Base-Base interactions energy: -1160.887 where: short stacking energy: -480.389 Base-Backbone interact. energy: -2.334 local terms energy: -551.206765 where: bonds (distance) C4'-P energy: -107.901 bonds (distance) P-C4' energy: -121.843 flat angles C4'-P-C4' energy: -120.317 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: -133.825 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: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1592.619645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.619645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.619645 (E_RNA) where: Base-Base interactions energy: -1060.587 where: short stacking energy: -478.957 Base-Backbone interact. energy: -1.875 local terms energy: -530.157766 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -105.024 flat angles C4'-P-C4' energy: -118.310 flat angles P-C4'-P energy: -67.400 tors. eta vs tors. theta energy: -139.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1475.854051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.854051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.854051 (E_RNA) where: Base-Base interactions energy: -971.427 where: short stacking energy: -432.470 Base-Backbone interact. energy: -0.364 local terms energy: -504.062823 where: bonds (distance) C4'-P energy: -93.947 bonds (distance) P-C4' energy: -114.117 flat angles C4'-P-C4' energy: -116.679 flat angles P-C4'-P energy: -74.663 tors. eta vs tors. theta energy: -104.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1281.480257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.480257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.480257 (E_RNA) where: Base-Base interactions energy: -810.369 where: short stacking energy: -346.177 Base-Backbone interact. energy: -1.260 local terms energy: -469.851773 where: bonds (distance) C4'-P energy: -92.966 bonds (distance) P-C4' energy: -94.516 flat angles C4'-P-C4' energy: -120.018 flat angles P-C4'-P energy: -69.400 tors. eta vs tors. theta energy: -92.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1044.016408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.016408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.016408 (E_RNA) where: Base-Base interactions energy: -643.244 where: short stacking energy: -296.888 Base-Backbone interact. energy: -2.401 local terms energy: -398.371927 where: bonds (distance) C4'-P energy: -90.881 bonds (distance) P-C4' energy: -98.832 flat angles C4'-P-C4' energy: -86.978 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -55.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -2266.355711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.355711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.355711 (E_RNA) where: Base-Base interactions energy: -1575.257 where: short stacking energy: -649.825 Base-Backbone interact. energy: -1.396 local terms energy: -689.702590 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -130.256 flat angles C4'-P-C4' energy: -134.578 flat angles P-C4'-P energy: -103.579 tors. eta vs tors. theta energy: -201.015 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: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2243.406765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.406765 (E_RNA) where: Base-Base interactions energy: -1566.572 where: short stacking energy: -621.880 Base-Backbone interact. energy: -2.777 local terms energy: -674.058126 where: bonds (distance) C4'-P energy: -120.734 bonds (distance) P-C4' energy: -127.804 flat angles C4'-P-C4' energy: -131.597 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -192.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2152.289976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.289976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.289976 (E_RNA) where: Base-Base interactions energy: -1522.741 where: short stacking energy: -620.403 Base-Backbone interact. energy: -2.175 local terms energy: -627.373911 where: bonds (distance) C4'-P energy: -116.024 bonds (distance) P-C4' energy: -119.927 flat angles C4'-P-C4' energy: -135.397 flat angles P-C4'-P energy: -73.395 tors. eta vs tors. theta energy: -182.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2098.549220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.549220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.549220 (E_RNA) where: Base-Base interactions energy: -1456.261 where: short stacking energy: -611.485 Base-Backbone interact. energy: -0.903 local terms energy: -641.384605 where: bonds (distance) C4'-P energy: -103.975 bonds (distance) P-C4' energy: -113.058 flat angles C4'-P-C4' energy: -137.505 flat angles P-C4'-P energy: -96.242 tors. eta vs tors. theta energy: -190.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1872.503029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.503029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.503029 (E_RNA) where: Base-Base interactions energy: -1319.294 where: short stacking energy: -540.251 Base-Backbone interact. energy: 2.330 local terms energy: -555.538922 where: bonds (distance) C4'-P energy: -103.957 bonds (distance) P-C4' energy: -103.542 flat angles C4'-P-C4' energy: -118.888 flat angles P-C4'-P energy: -76.098 tors. eta vs tors. theta energy: -153.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1739.944841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.944841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.944841 (E_RNA) where: Base-Base interactions energy: -1180.867 where: short stacking energy: -493.355 Base-Backbone interact. energy: 1.039 local terms energy: -560.116803 where: bonds (distance) C4'-P energy: -117.983 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -116.227 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -143.360 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: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1569.031040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.031040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.031040 (E_RNA) where: Base-Base interactions energy: -1066.453 where: short stacking energy: -447.295 Base-Backbone interact. energy: 0.697 local terms energy: -503.275023 where: bonds (distance) C4'-P energy: -77.965 bonds (distance) P-C4' energy: -101.922 flat angles C4'-P-C4' energy: -111.801 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -140.846 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: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1524.925287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.925287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.925287 (E_RNA) where: Base-Base interactions energy: -1036.884 where: short stacking energy: -441.428 Base-Backbone interact. energy: 0.514 local terms energy: -488.556031 where: bonds (distance) C4'-P energy: -79.967 bonds (distance) P-C4' energy: -114.590 flat angles C4'-P-C4' energy: -94.439 flat angles P-C4'-P energy: -90.441 tors. eta vs tors. theta energy: -109.119 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: 1 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1309.526957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.526957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.526957 (E_RNA) where: Base-Base interactions energy: -857.317 where: short stacking energy: -364.034 Base-Backbone interact. energy: 1.449 local terms energy: -453.659314 where: bonds (distance) C4'-P energy: -101.595 bonds (distance) P-C4' energy: -90.868 flat angles C4'-P-C4' energy: -104.278 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -85.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1078.615748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.615748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.615748 (E_RNA) where: Base-Base interactions energy: -674.101 where: short stacking energy: -306.546 Base-Backbone interact. energy: -1.003 local terms energy: -403.511591 where: bonds (distance) C4'-P energy: -87.226 bonds (distance) P-C4' energy: -101.587 flat angles C4'-P-C4' energy: -96.321 flat angles P-C4'-P energy: -65.714 tors. eta vs tors. theta energy: -52.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -2257.838900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.838900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.838900 (E_RNA) where: Base-Base interactions energy: -1587.034 where: short stacking energy: -655.460 Base-Backbone interact. energy: 0.649 local terms energy: -671.453927 where: bonds (distance) C4'-P energy: -116.157 bonds (distance) P-C4' energy: -122.013 flat angles C4'-P-C4' energy: -139.868 flat angles P-C4'-P energy: -99.107 tors. eta vs tors. theta energy: -194.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2236.146820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.146820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.146820 (E_RNA) where: Base-Base interactions energy: -1552.072 where: short stacking energy: -624.363 Base-Backbone interact. energy: -2.640 local terms energy: -681.434375 where: bonds (distance) C4'-P energy: -111.916 bonds (distance) P-C4' energy: -131.227 flat angles C4'-P-C4' energy: -146.251 flat angles P-C4'-P energy: -92.878 tors. eta vs tors. theta energy: -199.163 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: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2166.003000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.003000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.003000 (E_RNA) where: Base-Base interactions energy: -1495.707 where: short stacking energy: -601.125 Base-Backbone interact. energy: 2.162 local terms energy: -672.458876 where: bonds (distance) C4'-P energy: -115.259 bonds (distance) P-C4' energy: -118.401 flat angles C4'-P-C4' energy: -148.658 flat angles P-C4'-P energy: -97.115 tors. eta vs tors. theta energy: -193.026 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: 4, replica: 9 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2089.749689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.749689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.749689 (E_RNA) where: Base-Base interactions energy: -1453.533 where: short stacking energy: -591.259 Base-Backbone interact. energy: -0.975 local terms energy: -635.241521 where: bonds (distance) C4'-P energy: -104.091 bonds (distance) P-C4' energy: -112.949 flat angles C4'-P-C4' energy: -143.841 flat angles P-C4'-P energy: -87.694 tors. eta vs tors. theta energy: -186.667 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: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1832.691796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.691796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.691796 (E_RNA) where: Base-Base interactions energy: -1243.389 where: short stacking energy: -511.826 Base-Backbone interact. energy: -1.157 local terms energy: -588.145784 where: bonds (distance) C4'-P energy: -123.590 bonds (distance) P-C4' energy: -129.821 flat angles C4'-P-C4' energy: -129.344 flat angles P-C4'-P energy: -75.000 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: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1795.203014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.203014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.203014 (E_RNA) where: Base-Base interactions energy: -1212.194 where: short stacking energy: -511.056 Base-Backbone interact. energy: 1.768 local terms energy: -584.777331 where: bonds (distance) C4'-P energy: -107.277 bonds (distance) P-C4' energy: -119.347 flat angles C4'-P-C4' energy: -119.178 flat angles P-C4'-P energy: -74.970 tors. eta vs tors. theta energy: -164.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1620.442425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.442425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.442425 (E_RNA) where: Base-Base interactions energy: -1076.564 where: short stacking energy: -448.115 Base-Backbone interact. energy: -2.113 local terms energy: -541.766022 where: bonds (distance) C4'-P energy: -117.558 bonds (distance) P-C4' energy: -109.459 flat angles C4'-P-C4' energy: -114.128 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -127.322 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: 8, replica: 4 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1518.229123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.229123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.229123 (E_RNA) where: Base-Base interactions energy: -1009.463 where: short stacking energy: -418.244 Base-Backbone interact. energy: -0.419 local terms energy: -508.347545 where: bonds (distance) C4'-P energy: -99.683 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -114.226 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -101.061 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: 1 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1333.333839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.333839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.333839 (E_RNA) where: Base-Base interactions energy: -872.968 where: short stacking energy: -394.523 Base-Backbone interact. energy: -1.006 local terms energy: -459.359967 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -95.726 flat angles C4'-P-C4' energy: -106.717 flat angles P-C4'-P energy: -71.345 tors. eta vs tors. theta energy: -88.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1052.668425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.668425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.668425 (E_RNA) where: Base-Base interactions energy: -625.972 where: short stacking energy: -273.859 Base-Backbone interact. energy: -1.361 local terms energy: -425.335895 where: bonds (distance) C4'-P energy: -100.442 bonds (distance) P-C4' energy: -102.027 flat angles C4'-P-C4' energy: -92.262 flat angles P-C4'-P energy: -74.212 tors. eta vs tors. theta energy: -56.393 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: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -2244.546119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.546119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.546119 (E_RNA) where: Base-Base interactions energy: -1578.814 where: short stacking energy: -649.323 Base-Backbone interact. energy: 1.517 local terms energy: -667.249312 where: bonds (distance) C4'-P energy: -119.012 bonds (distance) P-C4' energy: -124.341 flat angles C4'-P-C4' energy: -136.289 flat angles P-C4'-P energy: -97.984 tors. eta vs tors. theta energy: -189.624 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: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2233.868508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.868508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.868508 (E_RNA) where: Base-Base interactions energy: -1568.300 where: short stacking energy: -643.728 Base-Backbone interact. energy: 0.281 local terms energy: -665.849762 where: bonds (distance) C4'-P energy: -116.848 bonds (distance) P-C4' energy: -119.422 flat angles C4'-P-C4' energy: -142.676 flat angles P-C4'-P energy: -92.353 tors. eta vs tors. theta energy: -194.550 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2173.668564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.668564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.668564 (E_RNA) where: Base-Base interactions energy: -1519.018 where: short stacking energy: -629.180 Base-Backbone interact. energy: -1.853 local terms energy: -652.797310 where: bonds (distance) C4'-P energy: -119.417 bonds (distance) P-C4' energy: -119.911 flat angles C4'-P-C4' energy: -139.076 flat angles P-C4'-P energy: -83.618 tors. eta vs tors. theta energy: -190.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2097.354949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.354949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.354949 (E_RNA) where: Base-Base interactions energy: -1475.518 where: short stacking energy: -618.422 Base-Backbone interact. energy: -1.747 local terms energy: -620.089994 where: bonds (distance) C4'-P energy: -101.173 bonds (distance) P-C4' energy: -99.395 flat angles C4'-P-C4' energy: -133.648 flat angles P-C4'-P energy: -99.787 tors. eta vs tors. theta energy: -186.087 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: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1854.221284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.221284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.221284 (E_RNA) where: Base-Base interactions energy: -1303.100 where: short stacking energy: -513.700 Base-Backbone interact. energy: 1.069 local terms energy: -552.189947 where: bonds (distance) C4'-P energy: -97.319 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -120.731 flat angles P-C4'-P energy: -78.826 tors. eta vs tors. theta energy: -147.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1758.322699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.322699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.322699 (E_RNA) where: Base-Base interactions energy: -1166.950 where: short stacking energy: -483.902 Base-Backbone interact. energy: -0.808 local terms energy: -590.564946 where: bonds (distance) C4'-P energy: -118.912 bonds (distance) P-C4' energy: -101.909 flat angles C4'-P-C4' energy: -132.625 flat angles P-C4'-P energy: -92.763 tors. eta vs tors. theta energy: -144.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1601.937123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.937123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.937123 (E_RNA) where: Base-Base interactions energy: -1070.557 where: short stacking energy: -458.795 Base-Backbone interact. energy: -2.076 local terms energy: -529.303431 where: bonds (distance) C4'-P energy: -100.916 bonds (distance) P-C4' energy: -98.746 flat angles C4'-P-C4' energy: -131.720 flat angles P-C4'-P energy: -69.040 tors. eta vs tors. theta energy: -128.882 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: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1487.772544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.772544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.772544 (E_RNA) where: Base-Base interactions energy: -1014.229 where: short stacking energy: -417.134 Base-Backbone interact. energy: 2.294 local terms energy: -475.837318 where: bonds (distance) C4'-P energy: -110.403 bonds (distance) P-C4' energy: -98.346 flat angles C4'-P-C4' energy: -101.361 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -99.074 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: 9, replica: 1 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1327.924318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.924318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.924318 (E_RNA) where: Base-Base interactions energy: -846.011 where: short stacking energy: -358.494 Base-Backbone interact. energy: -1.280 local terms energy: -480.632440 where: bonds (distance) C4'-P energy: -106.280 bonds (distance) P-C4' energy: -112.441 flat angles C4'-P-C4' energy: -110.574 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -84.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1082.167348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.167348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.167348 (E_RNA) where: Base-Base interactions energy: -664.676 where: short stacking energy: -296.301 Base-Backbone interact. energy: 2.717 local terms energy: -420.208320 where: bonds (distance) C4'-P energy: -80.980 bonds (distance) P-C4' energy: -113.341 flat angles C4'-P-C4' energy: -106.568 flat angles P-C4'-P energy: -62.960 tors. eta vs tors. theta energy: -56.359 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: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -2291.946199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.946199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.946199 (E_RNA) where: Base-Base interactions energy: -1590.662 where: short stacking energy: -696.509 Base-Backbone interact. energy: 3.926 local terms energy: -705.210544 where: bonds (distance) C4'-P energy: -123.481 bonds (distance) P-C4' energy: -124.453 flat angles C4'-P-C4' energy: -147.977 flat angles P-C4'-P energy: -104.345 tors. eta vs tors. theta energy: -204.954 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: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2219.128538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.128538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.128538 (E_RNA) where: Base-Base interactions energy: -1532.352 where: short stacking energy: -617.600 Base-Backbone interact. energy: -4.001 local terms energy: -682.775823 where: bonds (distance) C4'-P energy: -125.856 bonds (distance) P-C4' energy: -121.698 flat angles C4'-P-C4' energy: -135.389 flat angles P-C4'-P energy: -101.777 tors. eta vs tors. theta energy: -198.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2132.303686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.303686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.303686 (E_RNA) where: Base-Base interactions energy: -1506.793 where: short stacking energy: -628.317 Base-Backbone interact. energy: 5.702 local terms energy: -631.213118 where: bonds (distance) C4'-P energy: -100.193 bonds (distance) P-C4' energy: -118.958 flat angles C4'-P-C4' energy: -128.406 flat angles P-C4'-P energy: -91.396 tors. eta vs tors. theta energy: -192.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2126.069451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.069451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.069451 (E_RNA) where: Base-Base interactions energy: -1499.163 where: short stacking energy: -627.428 Base-Backbone interact. energy: -1.330 local terms energy: -625.576319 where: bonds (distance) C4'-P energy: -112.212 bonds (distance) P-C4' energy: -105.204 flat angles C4'-P-C4' energy: -136.738 flat angles P-C4'-P energy: -77.979 tors. eta vs tors. theta energy: -193.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1852.654171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.654171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.654171 (E_RNA) where: Base-Base interactions energy: -1288.608 where: short stacking energy: -504.383 Base-Backbone interact. energy: -1.753 local terms energy: -562.293216 where: bonds (distance) C4'-P energy: -110.350 bonds (distance) P-C4' energy: -114.020 flat angles C4'-P-C4' energy: -134.998 flat angles P-C4'-P energy: -68.896 tors. eta vs tors. theta energy: -134.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1715.128971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.128971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.128971 (E_RNA) where: Base-Base interactions energy: -1154.617 where: short stacking energy: -505.187 Base-Backbone interact. energy: 0.058 local terms energy: -560.569905 where: bonds (distance) C4'-P energy: -102.528 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -121.653 flat angles P-C4'-P energy: -84.573 tors. eta vs tors. theta energy: -142.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1558.197420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.197420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.197420 (E_RNA) where: Base-Base interactions energy: -1026.760 where: short stacking energy: -437.482 Base-Backbone interact. energy: 4.220 local terms energy: -535.658102 where: bonds (distance) C4'-P energy: -110.595 bonds (distance) P-C4' energy: -110.373 flat angles C4'-P-C4' energy: -122.434 flat angles P-C4'-P energy: -81.144 tors. eta vs tors. theta energy: -111.111 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: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1589.540984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.540984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.540984 (E_RNA) where: Base-Base interactions energy: -1077.802 where: short stacking energy: -455.192 Base-Backbone interact. energy: -0.536 local terms energy: -511.203205 where: bonds (distance) C4'-P energy: -77.993 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -80.733 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: 9, replica: 1 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1284.216022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.216022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.216022 (E_RNA) where: Base-Base interactions energy: -829.193 where: short stacking energy: -360.159 Base-Backbone interact. energy: 1.405 local terms energy: -456.428331 where: bonds (distance) C4'-P energy: -95.299 bonds (distance) P-C4' energy: -100.317 flat angles C4'-P-C4' energy: -112.763 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: -76.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1141.295786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.295786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.295786 (E_RNA) where: Base-Base interactions energy: -728.718 where: short stacking energy: -324.725 Base-Backbone interact. energy: 0.978 local terms energy: -413.555794 where: bonds (distance) C4'-P energy: -85.158 bonds (distance) P-C4' energy: -92.231 flat angles C4'-P-C4' energy: -106.248 flat angles P-C4'-P energy: -56.447 tors. eta vs tors. theta energy: -73.472 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: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -2269.086070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.086070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.086070 (E_RNA) where: Base-Base interactions energy: -1582.069 where: short stacking energy: -645.208 Base-Backbone interact. energy: -1.304 local terms energy: -685.712848 where: bonds (distance) C4'-P energy: -118.715 bonds (distance) P-C4' energy: -114.627 flat angles C4'-P-C4' energy: -144.555 flat angles P-C4'-P energy: -105.923 tors. eta vs tors. theta energy: -201.892 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: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2245.348683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.348683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.348683 (E_RNA) where: Base-Base interactions energy: -1594.223 where: short stacking energy: -634.307 Base-Backbone interact. energy: -4.594 local terms energy: -646.531591 where: bonds (distance) C4'-P energy: -112.210 bonds (distance) P-C4' energy: -116.083 flat angles C4'-P-C4' energy: -138.126 flat angles P-C4'-P energy: -90.548 tors. eta vs tors. theta energy: -189.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2190.493404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.493404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.493404 (E_RNA) where: Base-Base interactions energy: -1540.034 where: short stacking energy: -640.259 Base-Backbone interact. energy: -2.019 local terms energy: -648.440014 where: bonds (distance) C4'-P energy: -117.137 bonds (distance) P-C4' energy: -114.634 flat angles C4'-P-C4' energy: -148.758 flat angles P-C4'-P energy: -76.619 tors. eta vs tors. theta energy: -191.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2089.692977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.692977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.692977 (E_RNA) where: Base-Base interactions energy: -1470.553 where: short stacking energy: -626.090 Base-Backbone interact. energy: -0.896 local terms energy: -618.243441 where: bonds (distance) C4'-P energy: -109.895 bonds (distance) P-C4' energy: -103.126 flat angles C4'-P-C4' energy: -133.044 flat angles P-C4'-P energy: -80.074 tors. eta vs tors. theta energy: -192.105 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: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1881.025945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.025945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.025945 (E_RNA) where: Base-Base interactions energy: -1308.425 where: short stacking energy: -530.482 Base-Backbone interact. energy: 1.327 local terms energy: -573.927076 where: bonds (distance) C4'-P energy: -115.705 bonds (distance) P-C4' energy: -116.079 flat angles C4'-P-C4' energy: -125.510 flat angles P-C4'-P energy: -68.932 tors. eta vs tors. theta energy: -147.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1740.176184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.176184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.176184 (E_RNA) where: Base-Base interactions energy: -1185.869 where: short stacking energy: -498.225 Base-Backbone interact. energy: 0.773 local terms energy: -555.079741 where: bonds (distance) C4'-P energy: -103.234 bonds (distance) P-C4' energy: -119.025 flat angles C4'-P-C4' energy: -107.835 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -132.202 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: 7, replica: 4 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1530.930517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.930517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.930517 (E_RNA) where: Base-Base interactions energy: -1012.603 where: short stacking energy: -441.484 Base-Backbone interact. energy: 2.049 local terms energy: -520.376861 where: bonds (distance) C4'-P energy: -101.083 bonds (distance) P-C4' energy: -116.862 flat angles C4'-P-C4' energy: -118.755 flat angles P-C4'-P energy: -67.308 tors. eta vs tors. theta energy: -116.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1459.760647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.760647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.760647 (E_RNA) where: Base-Base interactions energy: -977.247 where: short stacking energy: -415.220 Base-Backbone interact. energy: -1.976 local terms energy: -480.537673 where: bonds (distance) C4'-P energy: -101.900 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -101.762 flat angles P-C4'-P energy: -71.050 tors. eta vs tors. theta energy: -114.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1299.486693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.486693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.486693 (E_RNA) where: Base-Base interactions energy: -869.998 where: short stacking energy: -382.864 Base-Backbone interact. energy: -2.779 local terms energy: -426.709551 where: bonds (distance) C4'-P energy: -86.972 bonds (distance) P-C4' energy: -90.867 flat angles C4'-P-C4' energy: -115.709 flat angles P-C4'-P energy: -57.206 tors. eta vs tors. theta energy: -75.955 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: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1103.533217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.533217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.533217 (E_RNA) where: Base-Base interactions energy: -673.218 where: short stacking energy: -281.442 Base-Backbone interact. energy: -1.761 local terms energy: -428.554154 where: bonds (distance) C4'-P energy: -97.818 bonds (distance) P-C4' energy: -106.243 flat angles C4'-P-C4' energy: -106.854 flat angles P-C4'-P energy: -56.913 tors. eta vs tors. theta energy: -60.727 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: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -2276.838882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.838882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.838882 (E_RNA) where: Base-Base interactions energy: -1599.884 where: short stacking energy: -634.530 Base-Backbone interact. energy: -1.264 local terms energy: -675.690685 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -121.590 flat angles C4'-P-C4' energy: -140.670 flat angles P-C4'-P energy: -100.290 tors. eta vs tors. theta energy: -186.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2211.625584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.625584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.625584 (E_RNA) where: Base-Base interactions energy: -1560.988 where: short stacking energy: -638.278 Base-Backbone interact. energy: -0.665 local terms energy: -649.972191 where: bonds (distance) C4'-P energy: -117.221 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -132.199 flat angles P-C4'-P energy: -93.793 tors. eta vs tors. theta energy: -187.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2193.276435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.276435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.276435 (E_RNA) where: Base-Base interactions energy: -1509.231 where: short stacking energy: -628.066 Base-Backbone interact. energy: -2.147 local terms energy: -681.897602 where: bonds (distance) C4'-P energy: -121.833 bonds (distance) P-C4' energy: -119.631 flat angles C4'-P-C4' energy: -148.911 flat angles P-C4'-P energy: -91.594 tors. eta vs tors. theta energy: -199.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2069.544775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.544775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.544775 (E_RNA) where: Base-Base interactions energy: -1434.193 where: short stacking energy: -619.118 Base-Backbone interact. energy: -1.350 local terms energy: -634.002541 where: bonds (distance) C4'-P energy: -110.168 bonds (distance) P-C4' energy: -112.526 flat angles C4'-P-C4' energy: -139.045 flat angles P-C4'-P energy: -85.586 tors. eta vs tors. theta energy: -186.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1892.205798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.205798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.205798 (E_RNA) where: Base-Base interactions energy: -1331.276 where: short stacking energy: -546.206 Base-Backbone interact. energy: -0.014 local terms energy: -560.915597 where: bonds (distance) C4'-P energy: -109.879 bonds (distance) P-C4' energy: -97.443 flat angles C4'-P-C4' energy: -126.600 flat angles P-C4'-P energy: -81.026 tors. eta vs tors. theta energy: -145.968 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: 264 Temperature: 1.150000 Total energy: -1743.683357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.683357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.683357 (E_RNA) where: Base-Base interactions energy: -1194.138 where: short stacking energy: -509.916 Base-Backbone interact. energy: 2.356 local terms energy: -551.901541 where: bonds (distance) C4'-P energy: -108.044 bonds (distance) P-C4' energy: -115.254 flat angles C4'-P-C4' energy: -113.817 flat angles P-C4'-P energy: -69.957 tors. eta vs tors. theta energy: -144.829 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: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1514.846055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.846055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.846055 (E_RNA) where: Base-Base interactions energy: -1030.535 where: short stacking energy: -437.618 Base-Backbone interact. energy: -0.958 local terms energy: -483.352237 where: bonds (distance) C4'-P energy: -103.564 bonds (distance) P-C4' energy: -94.751 flat angles C4'-P-C4' energy: -122.919 flat angles P-C4'-P energy: -67.624 tors. eta vs tors. theta energy: -94.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1513.796815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.796815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.796815 (E_RNA) where: Base-Base interactions energy: -1014.267 where: short stacking energy: -427.440 Base-Backbone interact. energy: -2.159 local terms energy: -497.371336 where: bonds (distance) C4'-P energy: -103.842 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: -100.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1315.670528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.670528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.670528 (E_RNA) where: Base-Base interactions energy: -839.651 where: short stacking energy: -343.020 Base-Backbone interact. energy: -1.208 local terms energy: -474.811283 where: bonds (distance) C4'-P energy: -115.707 bonds (distance) P-C4' energy: -109.766 flat angles C4'-P-C4' energy: -101.189 flat angles P-C4'-P energy: -68.700 tors. eta vs tors. theta energy: -79.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1123.125529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.125529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.125529 (E_RNA) where: Base-Base interactions energy: -713.307 where: short stacking energy: -320.564 Base-Backbone interact. energy: -2.935 local terms energy: -406.883730 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -95.856 flat angles C4'-P-C4' energy: -98.309 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -65.975 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: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -2282.535026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.535026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.535026 (E_RNA) where: Base-Base interactions energy: -1602.867 where: short stacking energy: -645.443 Base-Backbone interact. energy: -2.883 local terms energy: -676.785415 where: bonds (distance) C4'-P energy: -111.116 bonds (distance) P-C4' energy: -125.039 flat angles C4'-P-C4' energy: -149.516 flat angles P-C4'-P energy: -90.816 tors. eta vs tors. theta energy: -200.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2207.876666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.876666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.876666 (E_RNA) where: Base-Base interactions energy: -1554.247 where: short stacking energy: -651.236 Base-Backbone interact. energy: -0.172 local terms energy: -653.457554 where: bonds (distance) C4'-P energy: -99.643 bonds (distance) P-C4' energy: -117.965 flat angles C4'-P-C4' energy: -143.451 flat angles P-C4'-P energy: -95.100 tors. eta vs tors. theta energy: -197.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2180.283409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.283409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.283409 (E_RNA) where: Base-Base interactions energy: -1526.132 where: short stacking energy: -625.305 Base-Backbone interact. energy: -1.496 local terms energy: -652.656356 where: bonds (distance) C4'-P energy: -120.939 bonds (distance) P-C4' energy: -106.321 flat angles C4'-P-C4' energy: -139.830 flat angles P-C4'-P energy: -94.101 tors. eta vs tors. theta energy: -191.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2064.934657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.934657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.934657 (E_RNA) where: Base-Base interactions energy: -1431.964 where: short stacking energy: -592.728 Base-Backbone interact. energy: -1.088 local terms energy: -631.882770 where: bonds (distance) C4'-P energy: -102.234 bonds (distance) P-C4' energy: -123.558 flat angles C4'-P-C4' energy: -131.919 flat angles P-C4'-P energy: -95.902 tors. eta vs tors. theta energy: -178.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1838.878725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.878725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.878725 (E_RNA) where: Base-Base interactions energy: -1274.330 where: short stacking energy: -516.962 Base-Backbone interact. energy: -3.445 local terms energy: -561.103531 where: bonds (distance) C4'-P energy: -110.935 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -132.092 flat angles P-C4'-P energy: -72.838 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: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1736.570131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.570131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.570131 (E_RNA) where: Base-Base interactions energy: -1193.705 where: short stacking energy: -517.556 Base-Backbone interact. energy: -0.334 local terms energy: -542.530979 where: bonds (distance) C4'-P energy: -84.102 bonds (distance) P-C4' energy: -100.871 flat angles C4'-P-C4' energy: -121.629 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -151.590 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: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1526.635465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.635465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.635465 (E_RNA) where: Base-Base interactions energy: -1038.102 where: short stacking energy: -442.443 Base-Backbone interact. energy: 5.462 local terms energy: -493.996132 where: bonds (distance) C4'-P energy: -109.727 bonds (distance) P-C4' energy: -95.704 flat angles C4'-P-C4' energy: -114.668 flat angles P-C4'-P energy: -69.054 tors. eta vs tors. theta energy: -104.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1469.758494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.758494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.758494 (E_RNA) where: Base-Base interactions energy: -996.878 where: short stacking energy: -408.865 Base-Backbone interact. energy: -2.302 local terms energy: -470.577882 where: bonds (distance) C4'-P energy: -108.776 bonds (distance) P-C4' energy: -85.214 flat angles C4'-P-C4' energy: -109.808 flat angles P-C4'-P energy: -64.482 tors. eta vs tors. theta energy: -102.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1289.727397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.727397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.727397 (E_RNA) where: Base-Base interactions energy: -840.709 where: short stacking energy: -369.817 Base-Backbone interact. energy: -1.457 local terms energy: -447.560904 where: bonds (distance) C4'-P energy: -104.664 bonds (distance) P-C4' energy: -95.714 flat angles C4'-P-C4' energy: -115.716 flat angles P-C4'-P energy: -54.762 tors. eta vs tors. theta energy: -76.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1112.682414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.682414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.682414 (E_RNA) where: Base-Base interactions energy: -713.246 where: short stacking energy: -326.723 Base-Backbone interact. energy: -4.179 local terms energy: -395.257338 where: bonds (distance) C4'-P energy: -78.064 bonds (distance) P-C4' energy: -103.206 flat angles C4'-P-C4' energy: -103.620 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -51.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -2273.815610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.815610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.815610 (E_RNA) where: Base-Base interactions energy: -1592.438 where: short stacking energy: -634.156 Base-Backbone interact. energy: -0.544 local terms energy: -680.833736 where: bonds (distance) C4'-P energy: -124.470 bonds (distance) P-C4' energy: -123.515 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -101.773 tors. eta vs tors. theta energy: -192.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2237.833701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.833701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.833701 (E_RNA) where: Base-Base interactions energy: -1562.378 where: short stacking energy: -625.099 Base-Backbone interact. energy: 2.480 local terms energy: -677.936008 where: bonds (distance) C4'-P energy: -133.056 bonds (distance) P-C4' energy: -110.485 flat angles C4'-P-C4' energy: -141.984 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -195.908 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: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2149.091612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.091612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.091612 (E_RNA) where: Base-Base interactions energy: -1497.849 where: short stacking energy: -644.117 Base-Backbone interact. energy: -0.269 local terms energy: -650.973428 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -110.245 flat angles C4'-P-C4' energy: -136.959 flat angles P-C4'-P energy: -102.364 tors. eta vs tors. theta energy: -188.956 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: 4, replica: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2078.961052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.961052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.961052 (E_RNA) where: Base-Base interactions energy: -1443.139 where: short stacking energy: -600.133 Base-Backbone interact. energy: -2.281 local terms energy: -633.541949 where: bonds (distance) C4'-P energy: -103.034 bonds (distance) P-C4' energy: -116.235 flat angles C4'-P-C4' energy: -135.956 flat angles P-C4'-P energy: -86.235 tors. eta vs tors. theta energy: -192.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1877.948212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.948212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.948212 (E_RNA) where: Base-Base interactions energy: -1305.398 where: short stacking energy: -542.411 Base-Backbone interact. energy: -0.415 local terms energy: -572.135046 where: bonds (distance) C4'-P energy: -103.222 bonds (distance) P-C4' energy: -104.643 flat angles C4'-P-C4' energy: -128.729 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -146.485 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: 6, replica: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1742.662187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.662187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.662187 (E_RNA) where: Base-Base interactions energy: -1153.579 where: short stacking energy: -513.202 Base-Backbone interact. energy: 3.272 local terms energy: -592.355105 where: bonds (distance) C4'-P energy: -114.954 bonds (distance) P-C4' energy: -118.238 flat angles C4'-P-C4' energy: -123.337 flat angles P-C4'-P energy: -83.192 tors. eta vs tors. theta energy: -152.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1555.491835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.491835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.491835 (E_RNA) where: Base-Base interactions energy: -1054.848 where: short stacking energy: -463.886 Base-Backbone interact. energy: -1.338 local terms energy: -499.306038 where: bonds (distance) C4'-P energy: -97.085 bonds (distance) P-C4' energy: -96.932 flat angles C4'-P-C4' energy: -110.715 flat angles P-C4'-P energy: -72.052 tors. eta vs tors. theta energy: -122.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1452.522017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.522017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.522017 (E_RNA) where: Base-Base interactions energy: -963.098 where: short stacking energy: -384.814 Base-Backbone interact. energy: -1.458 local terms energy: -487.965716 where: bonds (distance) C4'-P energy: -103.630 bonds (distance) P-C4' energy: -117.726 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -60.518 tors. eta vs tors. theta energy: -95.042 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: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1173.673153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.673153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.673153 (E_RNA) where: Base-Base interactions energy: -746.368 where: short stacking energy: -332.686 Base-Backbone interact. energy: 6.169 local terms energy: -433.474148 where: bonds (distance) C4'-P energy: -84.650 bonds (distance) P-C4' energy: -88.569 flat angles C4'-P-C4' energy: -104.919 flat angles P-C4'-P energy: -72.812 tors. eta vs tors. theta energy: -82.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1250.220705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.220705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.220705 (E_RNA) where: Base-Base interactions energy: -790.306 where: short stacking energy: -330.240 Base-Backbone interact. energy: 1.833 local terms energy: -461.747768 where: bonds (distance) C4'-P energy: -95.290 bonds (distance) P-C4' energy: -107.653 flat angles C4'-P-C4' energy: -113.100 flat angles P-C4'-P energy: -66.075 tors. eta vs tors. theta energy: -79.630 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: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -2285.017389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.017389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.017389 (E_RNA) where: Base-Base interactions energy: -1606.476 where: short stacking energy: -638.746 Base-Backbone interact. energy: -4.785 local terms energy: -673.756013 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -119.315 flat angles C4'-P-C4' energy: -133.222 flat angles P-C4'-P energy: -88.104 tors. eta vs tors. theta energy: -198.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2245.907979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.907979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.907979 (E_RNA) where: Base-Base interactions energy: -1559.563 where: short stacking energy: -654.401 Base-Backbone interact. energy: -2.299 local terms energy: -684.045327 where: bonds (distance) C4'-P energy: -113.308 bonds (distance) P-C4' energy: -130.981 flat angles C4'-P-C4' energy: -143.116 flat angles P-C4'-P energy: -96.173 tors. eta vs tors. theta energy: -200.466 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: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2122.302775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.302775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.302775 (E_RNA) where: Base-Base interactions energy: -1460.691 where: short stacking energy: -594.988 Base-Backbone interact. energy: -0.767 local terms energy: -660.845265 where: bonds (distance) C4'-P energy: -131.435 bonds (distance) P-C4' energy: -123.150 flat angles C4'-P-C4' energy: -135.415 flat angles P-C4'-P energy: -88.428 tors. eta vs tors. theta energy: -182.418 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: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2110.019827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.019827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.019827 (E_RNA) where: Base-Base interactions energy: -1458.458 where: short stacking energy: -591.092 Base-Backbone interact. energy: 1.291 local terms energy: -652.852461 where: bonds (distance) C4'-P energy: -109.816 bonds (distance) P-C4' energy: -133.898 flat angles C4'-P-C4' energy: -133.588 flat angles P-C4'-P energy: -96.980 tors. eta vs tors. theta energy: -178.570 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: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1855.365055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.365055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.365055 (E_RNA) where: Base-Base interactions energy: -1277.627 where: short stacking energy: -490.722 Base-Backbone interact. energy: -0.512 local terms energy: -577.225643 where: bonds (distance) C4'-P energy: -112.472 bonds (distance) P-C4' energy: -101.616 flat angles C4'-P-C4' energy: -125.481 flat angles P-C4'-P energy: -86.779 tors. eta vs tors. theta energy: -150.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1718.498688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.498688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.498688 (E_RNA) where: Base-Base interactions energy: -1183.069 where: short stacking energy: -516.883 Base-Backbone interact. energy: -1.345 local terms energy: -534.084443 where: bonds (distance) C4'-P energy: -103.377 bonds (distance) P-C4' energy: -91.599 flat angles C4'-P-C4' energy: -120.670 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -152.260 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: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1551.473701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.473701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.473701 (E_RNA) where: Base-Base interactions energy: -1054.068 where: short stacking energy: -453.270 Base-Backbone interact. energy: -0.461 local terms energy: -496.945273 where: bonds (distance) C4'-P energy: -104.951 bonds (distance) P-C4' energy: -100.293 flat angles C4'-P-C4' energy: -113.518 flat angles P-C4'-P energy: -66.393 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: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1405.415493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.415493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.415493 (E_RNA) where: Base-Base interactions energy: -894.291 where: short stacking energy: -398.324 Base-Backbone interact. energy: -0.477 local terms energy: -510.647153 where: bonds (distance) C4'-P energy: -101.133 bonds (distance) P-C4' energy: -117.772 flat angles C4'-P-C4' energy: -115.171 flat angles P-C4'-P energy: -79.431 tors. eta vs tors. theta energy: -97.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1213.312102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.312102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.312102 (E_RNA) where: Base-Base interactions energy: -808.981 where: short stacking energy: -368.183 Base-Backbone interact. energy: -0.588 local terms energy: -403.742566 where: bonds (distance) C4'-P energy: -83.854 bonds (distance) P-C4' energy: -106.736 flat angles C4'-P-C4' energy: -105.221 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -65.176 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: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1260.692143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.692143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.692143 (E_RNA) where: Base-Base interactions energy: -791.797 where: short stacking energy: -327.243 Base-Backbone interact. energy: 0.805 local terms energy: -469.700344 where: bonds (distance) C4'-P energy: -110.292 bonds (distance) P-C4' energy: -102.264 flat angles C4'-P-C4' energy: -101.107 flat angles P-C4'-P energy: -78.044 tors. eta vs tors. theta energy: -77.993 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: 1, replica: 8 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -2282.307915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.307915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.307915 (E_RNA) where: Base-Base interactions energy: -1579.717 where: short stacking energy: -667.690 Base-Backbone interact. energy: 0.364 local terms energy: -702.955090 where: bonds (distance) C4'-P energy: -121.560 bonds (distance) P-C4' energy: -126.969 flat angles C4'-P-C4' energy: -140.530 flat angles P-C4'-P energy: -113.492 tors. eta vs tors. theta energy: -200.404 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: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2244.182471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.182471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.182471 (E_RNA) where: Base-Base interactions energy: -1562.245 where: short stacking energy: -635.894 Base-Backbone interact. energy: -1.883 local terms energy: -680.054311 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -117.285 flat angles C4'-P-C4' energy: -137.753 flat angles P-C4'-P energy: -107.055 tors. eta vs tors. theta energy: -197.521 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: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2146.109891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.109891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.109891 (E_RNA) where: Base-Base interactions energy: -1507.629 where: short stacking energy: -623.956 Base-Backbone interact. energy: -1.055 local terms energy: -637.425824 where: bonds (distance) C4'-P energy: -112.689 bonds (distance) P-C4' energy: -110.092 flat angles C4'-P-C4' energy: -137.641 flat angles P-C4'-P energy: -89.305 tors. eta vs tors. theta energy: -187.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2144.709369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.709369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.709369 (E_RNA) where: Base-Base interactions energy: -1479.508 where: short stacking energy: -620.206 Base-Backbone interact. energy: -1.954 local terms energy: -663.247561 where: bonds (distance) C4'-P energy: -110.018 bonds (distance) P-C4' energy: -121.758 flat angles C4'-P-C4' energy: -140.003 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -196.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1858.252312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.252312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.252312 (E_RNA) where: Base-Base interactions energy: -1305.749 where: short stacking energy: -522.069 Base-Backbone interact. energy: 0.196 local terms energy: -552.698607 where: bonds (distance) C4'-P energy: -86.992 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -88.179 tors. eta vs tors. theta energy: -150.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1700.325546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.325546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.325546 (E_RNA) where: Base-Base interactions energy: -1162.278 where: short stacking energy: -488.154 Base-Backbone interact. energy: 1.621 local terms energy: -539.667779 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -123.433 flat angles C4'-P-C4' energy: -108.098 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -136.929 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: 4 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1566.041275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.041275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.041275 (E_RNA) where: Base-Base interactions energy: -1069.779 where: short stacking energy: -466.152 Base-Backbone interact. energy: -2.915 local terms energy: -493.347499 where: bonds (distance) C4'-P energy: -94.326 bonds (distance) P-C4' energy: -111.701 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -112.596 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: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1384.772559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.772559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.772559 (E_RNA) where: Base-Base interactions energy: -918.800 where: short stacking energy: -378.274 Base-Backbone interact. energy: -0.763 local terms energy: -465.210293 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -100.137 flat angles P-C4'-P energy: -73.510 tors. eta vs tors. theta energy: -92.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1289.343905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.343905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.343905 (E_RNA) where: Base-Base interactions energy: -837.015 where: short stacking energy: -366.491 Base-Backbone interact. energy: 0.874 local terms energy: -453.203867 where: bonds (distance) C4'-P energy: -105.816 bonds (distance) P-C4' energy: -95.036 flat angles C4'-P-C4' energy: -108.671 flat angles P-C4'-P energy: -57.917 tors. eta vs tors. theta energy: -85.763 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: 268 Temperature: 1.350000 Total energy: -1172.555231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.555231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.555231 (E_RNA) where: Base-Base interactions energy: -717.484 where: short stacking energy: -305.994 Base-Backbone interact. energy: -1.725 local terms energy: -453.346833 where: bonds (distance) C4'-P energy: -106.407 bonds (distance) P-C4' energy: -115.833 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -64.802 tors. eta vs tors. theta energy: -66.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -2291.923987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.923987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.923987 (E_RNA) where: Base-Base interactions energy: -1604.037 where: short stacking energy: -669.609 Base-Backbone interact. energy: -1.695 local terms energy: -686.192054 where: bonds (distance) C4'-P energy: -112.471 bonds (distance) P-C4' energy: -116.924 flat angles C4'-P-C4' energy: -148.830 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -206.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2240.654078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.654078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.654078 (E_RNA) where: Base-Base interactions energy: -1581.818 where: short stacking energy: -615.051 Base-Backbone interact. energy: -3.557 local terms energy: -655.279301 where: bonds (distance) C4'-P energy: -106.724 bonds (distance) P-C4' energy: -117.011 flat angles C4'-P-C4' energy: -147.428 flat angles P-C4'-P energy: -91.735 tors. eta vs tors. theta energy: -192.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2140.848653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.848653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.848653 (E_RNA) where: Base-Base interactions energy: -1497.945 where: short stacking energy: -638.824 Base-Backbone interact. energy: 0.708 local terms energy: -643.612500 where: bonds (distance) C4'-P energy: -108.102 bonds (distance) P-C4' energy: -109.927 flat angles C4'-P-C4' energy: -148.625 flat angles P-C4'-P energy: -78.842 tors. eta vs tors. theta energy: -198.117 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: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2125.115064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.115064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.115064 (E_RNA) where: Base-Base interactions energy: -1489.938 where: short stacking energy: -613.815 Base-Backbone interact. energy: -2.104 local terms energy: -633.073542 where: bonds (distance) C4'-P energy: -115.237 bonds (distance) P-C4' energy: -115.304 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -79.091 tors. eta vs tors. theta energy: -188.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1782.710805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.710805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.710805 (E_RNA) where: Base-Base interactions energy: -1215.672 where: short stacking energy: -502.572 Base-Backbone interact. energy: -0.349 local terms energy: -566.689720 where: bonds (distance) C4'-P energy: -109.647 bonds (distance) P-C4' energy: -93.498 flat angles C4'-P-C4' energy: -128.642 flat angles P-C4'-P energy: -96.476 tors. eta vs tors. theta energy: -138.427 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: 6, replica: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1725.937741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.937741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.937741 (E_RNA) where: Base-Base interactions energy: -1197.010 where: short stacking energy: -510.234 Base-Backbone interact. energy: 1.330 local terms energy: -530.257294 where: bonds (distance) C4'-P energy: -99.075 bonds (distance) P-C4' energy: -95.696 flat angles C4'-P-C4' energy: -114.107 flat angles P-C4'-P energy: -76.388 tors. eta vs tors. theta energy: -144.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1612.812723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.812723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.812723 (E_RNA) where: Base-Base interactions energy: -1091.266 where: short stacking energy: -476.722 Base-Backbone interact. energy: -1.596 local terms energy: -519.950062 where: bonds (distance) C4'-P energy: -99.765 bonds (distance) P-C4' energy: -94.893 flat angles C4'-P-C4' energy: -110.981 flat angles P-C4'-P energy: -74.045 tors. eta vs tors. theta energy: -140.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1297.468956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.468956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.468956 (E_RNA) where: Base-Base interactions energy: -844.266 where: short stacking energy: -356.571 Base-Backbone interact. energy: 2.238 local terms energy: -455.440619 where: bonds (distance) C4'-P energy: -109.511 bonds (distance) P-C4' energy: -110.561 flat angles C4'-P-C4' energy: -108.248 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: -67.972 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: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1320.284875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.284875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.284875 (E_RNA) where: Base-Base interactions energy: -831.015 where: short stacking energy: -361.510 Base-Backbone interact. energy: 0.634 local terms energy: -489.904230 where: bonds (distance) C4'-P energy: -105.649 bonds (distance) P-C4' energy: -113.254 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -67.402 tors. eta vs tors. theta energy: -97.041 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: 269 Temperature: 1.350000 Total energy: -1208.705550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.705550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.705550 (E_RNA) where: Base-Base interactions energy: -767.439 where: short stacking energy: -332.959 Base-Backbone interact. energy: -0.828 local terms energy: -440.438207 where: bonds (distance) C4'-P energy: -93.269 bonds (distance) P-C4' energy: -100.690 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -75.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -2279.183075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.183075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.183075 (E_RNA) where: Base-Base interactions energy: -1610.290 where: short stacking energy: -674.574 Base-Backbone interact. energy: -2.331 local terms energy: -666.562092 where: bonds (distance) C4'-P energy: -114.325 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -146.433 flat angles P-C4'-P energy: -91.808 tors. eta vs tors. theta energy: -198.902 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: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2259.672326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.672326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.672326 (E_RNA) where: Base-Base interactions energy: -1608.159 where: short stacking energy: -647.806 Base-Backbone interact. energy: -2.634 local terms energy: -648.878687 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -119.348 flat angles C4'-P-C4' energy: -142.588 flat angles P-C4'-P energy: -94.386 tors. eta vs tors. theta energy: -195.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2157.414585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.414585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.414585 (E_RNA) where: Base-Base interactions energy: -1512.951 where: short stacking energy: -610.672 Base-Backbone interact. energy: -1.059 local terms energy: -643.404753 where: bonds (distance) C4'-P energy: -121.621 bonds (distance) P-C4' energy: -108.808 flat angles C4'-P-C4' energy: -133.119 flat angles P-C4'-P energy: -97.231 tors. eta vs tors. theta energy: -182.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2112.413687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.413687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.413687 (E_RNA) where: Base-Base interactions energy: -1481.516 where: short stacking energy: -601.603 Base-Backbone interact. energy: -0.661 local terms energy: -630.236509 where: bonds (distance) C4'-P energy: -108.811 bonds (distance) P-C4' energy: -108.632 flat angles C4'-P-C4' energy: -135.463 flat angles P-C4'-P energy: -90.725 tors. eta vs tors. theta energy: -186.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1813.685327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.685327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.685327 (E_RNA) where: Base-Base interactions energy: -1250.827 where: short stacking energy: -508.192 Base-Backbone interact. energy: -4.532 local terms energy: -558.326918 where: bonds (distance) C4'-P energy: -112.829 bonds (distance) P-C4' energy: -106.219 flat angles C4'-P-C4' energy: -120.064 flat angles P-C4'-P energy: -83.253 tors. eta vs tors. theta energy: -135.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1735.074490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.074490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.074490 (E_RNA) where: Base-Base interactions energy: -1181.316 where: short stacking energy: -491.414 Base-Backbone interact. energy: 0.237 local terms energy: -553.996433 where: bonds (distance) C4'-P energy: -106.303 bonds (distance) P-C4' energy: -101.832 flat angles C4'-P-C4' energy: -126.186 flat angles P-C4'-P energy: -74.785 tors. eta vs tors. theta energy: -144.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1541.272981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.272981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.272981 (E_RNA) where: Base-Base interactions energy: -1029.739 where: short stacking energy: -432.593 Base-Backbone interact. energy: -2.754 local terms energy: -508.779676 where: bonds (distance) C4'-P energy: -96.278 bonds (distance) P-C4' energy: -96.089 flat angles C4'-P-C4' energy: -118.078 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -122.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1303.552399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.552399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.552399 (E_RNA) where: Base-Base interactions energy: -841.523 where: short stacking energy: -350.143 Base-Backbone interact. energy: -1.278 local terms energy: -460.751071 where: bonds (distance) C4'-P energy: -97.279 bonds (distance) P-C4' energy: -118.826 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -73.764 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: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1347.885771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.885771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.885771 (E_RNA) where: Base-Base interactions energy: -877.585 where: short stacking energy: -373.827 Base-Backbone interact. energy: 1.027 local terms energy: -471.328296 where: bonds (distance) C4'-P energy: -100.051 bonds (distance) P-C4' energy: -109.887 flat angles C4'-P-C4' energy: -106.716 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -83.081 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1132.521553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.521553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.521553 (E_RNA) where: Base-Base interactions energy: -724.080 where: short stacking energy: -310.366 Base-Backbone interact. energy: -1.038 local terms energy: -407.403891 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -93.516 flat angles C4'-P-C4' energy: -95.564 flat angles P-C4'-P energy: -68.908 tors. eta vs tors. theta energy: -62.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2296.025328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.025328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.025328 (E_RNA) where: Base-Base interactions energy: -1587.854 where: short stacking energy: -652.276 Base-Backbone interact. energy: 0.226 local terms energy: -708.396944 where: bonds (distance) C4'-P energy: -125.431 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -146.830 flat angles P-C4'-P energy: -106.013 tors. eta vs tors. theta energy: -206.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2235.699655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.699655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.699655 (E_RNA) where: Base-Base interactions energy: -1560.228 where: short stacking energy: -608.321 Base-Backbone interact. energy: -2.984 local terms energy: -672.487502 where: bonds (distance) C4'-P energy: -109.557 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -145.978 flat angles P-C4'-P energy: -104.902 tors. eta vs tors. theta energy: -181.803 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: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2169.285799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.285799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.285799 (E_RNA) where: Base-Base interactions energy: -1515.442 where: short stacking energy: -615.888 Base-Backbone interact. energy: 0.033 local terms energy: -653.877465 where: bonds (distance) C4'-P energy: -108.265 bonds (distance) P-C4' energy: -119.680 flat angles C4'-P-C4' energy: -134.495 flat angles P-C4'-P energy: -106.346 tors. eta vs tors. theta energy: -185.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2127.767476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.767476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.767476 (E_RNA) where: Base-Base interactions energy: -1481.120 where: short stacking energy: -600.817 Base-Backbone interact. energy: -1.894 local terms energy: -644.752562 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -117.384 flat angles C4'-P-C4' energy: -129.734 flat angles P-C4'-P energy: -84.627 tors. eta vs tors. theta energy: -185.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1863.583310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.583310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.583310 (E_RNA) where: Base-Base interactions energy: -1296.960 where: short stacking energy: -524.281 Base-Backbone interact. energy: -2.005 local terms energy: -564.618007 where: bonds (distance) C4'-P energy: -98.781 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -123.683 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -154.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1746.633690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.633690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.633690 (E_RNA) where: Base-Base interactions energy: -1195.290 where: short stacking energy: -508.695 Base-Backbone interact. energy: -1.426 local terms energy: -549.918187 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -106.316 flat angles C4'-P-C4' energy: -132.412 flat angles P-C4'-P energy: -84.795 tors. eta vs tors. theta energy: -136.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1600.230468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.230468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.230468 (E_RNA) where: Base-Base interactions energy: -1062.220 where: short stacking energy: -453.505 Base-Backbone interact. energy: -0.074 local terms energy: -537.937333 where: bonds (distance) C4'-P energy: -98.255 bonds (distance) P-C4' energy: -105.642 flat angles C4'-P-C4' energy: -126.638 flat angles P-C4'-P energy: -86.090 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: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1372.854564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.854564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.854564 (E_RNA) where: Base-Base interactions energy: -886.880 where: short stacking energy: -396.394 Base-Backbone interact. energy: -0.986 local terms energy: -484.988701 where: bonds (distance) C4'-P energy: -108.856 bonds (distance) P-C4' energy: -109.974 flat angles C4'-P-C4' energy: -121.147 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -92.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1277.596281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.596281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.596281 (E_RNA) where: Base-Base interactions energy: -807.166 where: short stacking energy: -361.740 Base-Backbone interact. energy: -0.583 local terms energy: -469.847826 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -105.197 flat angles C4'-P-C4' energy: -113.080 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -92.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1133.082429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.082429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.082429 (E_RNA) where: Base-Base interactions energy: -720.718 where: short stacking energy: -313.662 Base-Backbone interact. energy: 1.125 local terms energy: -413.489514 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -95.177 flat angles C4'-P-C4' energy: -107.206 flat angles P-C4'-P energy: -57.443 tors. eta vs tors. theta energy: -59.948 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: 8 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -2280.227491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.227491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.227491 (E_RNA) where: Base-Base interactions energy: -1589.811 where: short stacking energy: -655.678 Base-Backbone interact. energy: -1.563 local terms energy: -688.853705 where: bonds (distance) C4'-P energy: -105.986 bonds (distance) P-C4' energy: -124.406 flat angles C4'-P-C4' energy: -144.099 flat angles P-C4'-P energy: -106.595 tors. eta vs tors. theta energy: -207.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2216.942222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.942222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.942222 (E_RNA) where: Base-Base interactions energy: -1549.469 where: short stacking energy: -616.106 Base-Backbone interact. energy: -5.590 local terms energy: -661.882887 where: bonds (distance) C4'-P energy: -115.814 bonds (distance) P-C4' energy: -130.072 flat angles C4'-P-C4' energy: -142.038 flat angles P-C4'-P energy: -90.620 tors. eta vs tors. theta energy: -183.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2156.856122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.856122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.856122 (E_RNA) where: Base-Base interactions energy: -1520.360 where: short stacking energy: -629.412 Base-Backbone interact. energy: -2.223 local terms energy: -634.272397 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -127.554 flat angles C4'-P-C4' energy: -128.279 flat angles P-C4'-P energy: -90.750 tors. eta vs tors. theta energy: -187.870 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: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2115.531450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.531450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.531450 (E_RNA) where: Base-Base interactions energy: -1482.490 where: short stacking energy: -615.373 Base-Backbone interact. energy: -2.604 local terms energy: -630.437067 where: bonds (distance) C4'-P energy: -111.141 bonds (distance) P-C4' energy: -109.812 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -82.501 tors. eta vs tors. theta energy: -194.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1900.322249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.322249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.322249 (E_RNA) where: Base-Base interactions energy: -1328.269 where: short stacking energy: -538.879 Base-Backbone interact. energy: -3.544 local terms energy: -568.508871 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -116.232 flat angles C4'-P-C4' energy: -122.728 flat angles P-C4'-P energy: -75.382 tors. eta vs tors. theta energy: -135.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1748.884665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.884665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.884665 (E_RNA) where: Base-Base interactions energy: -1228.919 where: short stacking energy: -507.168 Base-Backbone interact. energy: -1.149 local terms energy: -518.816789 where: bonds (distance) C4'-P energy: -87.278 bonds (distance) P-C4' energy: -104.410 flat angles C4'-P-C4' energy: -124.105 flat angles P-C4'-P energy: -68.034 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: 7, replica: 4 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1554.516062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.516062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.516062 (E_RNA) where: Base-Base interactions energy: -1031.245 where: short stacking energy: -425.905 Base-Backbone interact. energy: -1.644 local terms energy: -521.627288 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -125.987 flat angles C4'-P-C4' energy: -98.473 flat angles P-C4'-P energy: -77.867 tors. eta vs tors. theta energy: -115.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1373.129907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.129907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.129907 (E_RNA) where: Base-Base interactions energy: -864.972 where: short stacking energy: -411.378 Base-Backbone interact. energy: -0.297 local terms energy: -507.860349 where: bonds (distance) C4'-P energy: -105.089 bonds (distance) P-C4' energy: -115.885 flat angles C4'-P-C4' energy: -109.700 flat angles P-C4'-P energy: -72.339 tors. eta vs tors. theta energy: -104.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1317.610882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.610882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.610882 (E_RNA) where: Base-Base interactions energy: -874.593 where: short stacking energy: -364.534 Base-Backbone interact. energy: -0.713 local terms energy: -442.304613 where: bonds (distance) C4'-P energy: -103.499 bonds (distance) P-C4' energy: -89.591 flat angles C4'-P-C4' energy: -102.769 flat angles P-C4'-P energy: -63.789 tors. eta vs tors. theta energy: -82.657 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: 272 Temperature: 1.350000 Total energy: -1153.206988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.206988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.206988 (E_RNA) where: Base-Base interactions energy: -698.588 where: short stacking energy: -323.781 Base-Backbone interact. energy: 2.735 local terms energy: -457.354099 where: bonds (distance) C4'-P energy: -107.497 bonds (distance) P-C4' energy: -107.927 flat angles C4'-P-C4' energy: -105.586 flat angles P-C4'-P energy: -71.504 tors. eta vs tors. theta energy: -64.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -2271.612304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.612304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.612304 (E_RNA) where: Base-Base interactions energy: -1584.081 where: short stacking energy: -668.314 Base-Backbone interact. energy: -0.703 local terms energy: -686.828217 where: bonds (distance) C4'-P energy: -115.909 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -142.636 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -199.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2218.915065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.915065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.915065 (E_RNA) where: Base-Base interactions energy: -1580.773 where: short stacking energy: -635.686 Base-Backbone interact. energy: -2.007 local terms energy: -636.135053 where: bonds (distance) C4'-P energy: -122.538 bonds (distance) P-C4' energy: -95.169 flat angles C4'-P-C4' energy: -127.010 flat angles P-C4'-P energy: -99.549 tors. eta vs tors. theta energy: -191.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2165.143868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.143868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.143868 (E_RNA) where: Base-Base interactions energy: -1506.143 where: short stacking energy: -609.972 Base-Backbone interact. energy: -0.332 local terms energy: -658.668447 where: bonds (distance) C4'-P energy: -120.440 bonds (distance) P-C4' energy: -115.258 flat angles C4'-P-C4' energy: -134.605 flat angles P-C4'-P energy: -104.934 tors. eta vs tors. theta energy: -183.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2103.463523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.463523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.463523 (E_RNA) where: Base-Base interactions energy: -1453.446 where: short stacking energy: -570.895 Base-Backbone interact. energy: -2.612 local terms energy: -647.405269 where: bonds (distance) C4'-P energy: -112.052 bonds (distance) P-C4' energy: -127.583 flat angles C4'-P-C4' energy: -129.096 flat angles P-C4'-P energy: -98.796 tors. eta vs tors. theta energy: -179.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1908.087176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.087176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.087176 (E_RNA) where: Base-Base interactions energy: -1338.390 where: short stacking energy: -543.077 Base-Backbone interact. energy: -5.166 local terms energy: -564.532025 where: bonds (distance) C4'-P energy: -92.656 bonds (distance) P-C4' energy: -114.492 flat angles C4'-P-C4' energy: -121.924 flat angles P-C4'-P energy: -84.775 tors. eta vs tors. theta energy: -150.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1753.250193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.250193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.250193 (E_RNA) where: Base-Base interactions energy: -1213.265 where: short stacking energy: -506.315 Base-Backbone interact. energy: -1.276 local terms energy: -538.709128 where: bonds (distance) C4'-P energy: -104.372 bonds (distance) P-C4' energy: -102.442 flat angles C4'-P-C4' energy: -110.688 flat angles P-C4'-P energy: -73.179 tors. eta vs tors. theta energy: -148.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1614.701090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.701090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.701090 (E_RNA) where: Base-Base interactions energy: -1094.383 where: short stacking energy: -470.710 Base-Backbone interact. energy: 2.262 local terms energy: -522.579880 where: bonds (distance) C4'-P energy: -111.629 bonds (distance) P-C4' energy: -115.798 flat angles C4'-P-C4' energy: -114.181 flat angles P-C4'-P energy: -67.057 tors. eta vs tors. theta energy: -113.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1345.421333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.421333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.421333 (E_RNA) where: Base-Base interactions energy: -857.336 where: short stacking energy: -395.467 Base-Backbone interact. energy: -2.463 local terms energy: -485.621874 where: bonds (distance) C4'-P energy: -110.143 bonds (distance) P-C4' energy: -105.115 flat angles C4'-P-C4' energy: -108.208 flat angles P-C4'-P energy: -57.099 tors. eta vs tors. theta energy: -105.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1232.545245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.545245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.545245 (E_RNA) where: Base-Base interactions energy: -821.143 where: short stacking energy: -345.139 Base-Backbone interact. energy: -0.440 local terms energy: -410.961536 where: bonds (distance) C4'-P energy: -81.397 bonds (distance) P-C4' energy: -106.466 flat angles C4'-P-C4' energy: -87.628 flat angles P-C4'-P energy: -69.367 tors. eta vs tors. theta energy: -66.103 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1152.284380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.284380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.284380 (E_RNA) where: Base-Base interactions energy: -709.648 where: short stacking energy: -314.764 Base-Backbone interact. energy: 1.567 local terms energy: -444.202974 where: bonds (distance) C4'-P energy: -111.076 bonds (distance) P-C4' energy: -99.326 flat angles C4'-P-C4' energy: -112.627 flat angles P-C4'-P energy: -59.801 tors. eta vs tors. theta energy: -61.373 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: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -2257.648169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.648169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.648169 (E_RNA) where: Base-Base interactions energy: -1590.782 where: short stacking energy: -646.109 Base-Backbone interact. energy: -2.159 local terms energy: -664.707195 where: bonds (distance) C4'-P energy: -119.617 bonds (distance) P-C4' energy: -122.700 flat angles C4'-P-C4' energy: -136.471 flat angles P-C4'-P energy: -90.842 tors. eta vs tors. theta energy: -195.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2207.201453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.201453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.201453 (E_RNA) where: Base-Base interactions energy: -1535.202 where: short stacking energy: -605.720 Base-Backbone interact. energy: -3.488 local terms energy: -668.511429 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -122.273 flat angles C4'-P-C4' energy: -139.851 flat angles P-C4'-P energy: -103.305 tors. eta vs tors. theta energy: -182.710 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: 274 Temperature: 1.000000 Total energy: -2168.205284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.205284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.205284 (E_RNA) where: Base-Base interactions energy: -1516.114 where: short stacking energy: -632.563 Base-Backbone interact. energy: 1.380 local terms energy: -653.471176 where: bonds (distance) C4'-P energy: -104.503 bonds (distance) P-C4' energy: -110.524 flat angles C4'-P-C4' energy: -146.414 flat angles P-C4'-P energy: -95.633 tors. eta vs tors. theta energy: -196.398 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: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2093.009004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.009004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.009004 (E_RNA) where: Base-Base interactions energy: -1463.349 where: short stacking energy: -609.050 Base-Backbone interact. energy: -0.547 local terms energy: -629.112932 where: bonds (distance) C4'-P energy: -103.918 bonds (distance) P-C4' energy: -115.366 flat angles C4'-P-C4' energy: -137.305 flat angles P-C4'-P energy: -85.762 tors. eta vs tors. theta energy: -186.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1890.841964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.841964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.841964 (E_RNA) where: Base-Base interactions energy: -1311.773 where: short stacking energy: -517.273 Base-Backbone interact. energy: -2.460 local terms energy: -576.609494 where: bonds (distance) C4'-P energy: -93.786 bonds (distance) P-C4' energy: -104.750 flat angles C4'-P-C4' energy: -130.876 flat angles P-C4'-P energy: -92.223 tors. eta vs tors. theta energy: -154.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1692.652387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.652387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.652387 (E_RNA) where: Base-Base interactions energy: -1136.120 where: short stacking energy: -493.444 Base-Backbone interact. energy: -0.473 local terms energy: -556.059002 where: bonds (distance) C4'-P energy: -114.747 bonds (distance) P-C4' energy: -112.501 flat angles C4'-P-C4' energy: -124.601 flat angles P-C4'-P energy: -78.311 tors. eta vs tors. theta energy: -125.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1679.234594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.234594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.234594 (E_RNA) where: Base-Base interactions energy: -1138.516 where: short stacking energy: -480.061 Base-Backbone interact. energy: 0.061 local terms energy: -540.779450 where: bonds (distance) C4'-P energy: -98.945 bonds (distance) P-C4' energy: -118.739 flat angles C4'-P-C4' energy: -115.937 flat angles P-C4'-P energy: -80.279 tors. eta vs tors. theta energy: -126.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1394.797037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.797037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.797037 (E_RNA) where: Base-Base interactions energy: -932.557 where: short stacking energy: -392.036 Base-Backbone interact. energy: 6.179 local terms energy: -468.418354 where: bonds (distance) C4'-P energy: -105.401 bonds (distance) P-C4' energy: -105.101 flat angles C4'-P-C4' energy: -109.692 flat angles P-C4'-P energy: -58.751 tors. eta vs tors. theta energy: -89.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1241.105884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.105884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.105884 (E_RNA) where: Base-Base interactions energy: -781.175 where: short stacking energy: -345.369 Base-Backbone interact. energy: -0.480 local terms energy: -459.451391 where: bonds (distance) C4'-P energy: -89.557 bonds (distance) P-C4' energy: -114.544 flat angles C4'-P-C4' energy: -114.103 flat angles P-C4'-P energy: -65.867 tors. eta vs tors. theta energy: -75.380 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: 274 Temperature: 1.350000 Total energy: -1173.555069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.555069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.555069 (E_RNA) where: Base-Base interactions energy: -764.110 where: short stacking energy: -310.587 Base-Backbone interact. energy: 1.637 local terms energy: -411.082051 where: bonds (distance) C4'-P energy: -91.571 bonds (distance) P-C4' energy: -99.805 flat angles C4'-P-C4' energy: -96.991 flat angles P-C4'-P energy: -55.173 tors. eta vs tors. theta energy: -67.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -2279.792001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.792001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.792001 (E_RNA) where: Base-Base interactions energy: -1594.999 where: short stacking energy: -662.805 Base-Backbone interact. energy: -1.850 local terms energy: -682.943606 where: bonds (distance) C4'-P energy: -112.009 bonds (distance) P-C4' energy: -126.456 flat angles C4'-P-C4' energy: -148.783 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -208.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2216.845586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.845586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.845586 (E_RNA) where: Base-Base interactions energy: -1578.205 where: short stacking energy: -621.905 Base-Backbone interact. energy: -4.023 local terms energy: -634.618036 where: bonds (distance) C4'-P energy: -105.157 bonds (distance) P-C4' energy: -121.094 flat angles C4'-P-C4' energy: -135.247 flat angles P-C4'-P energy: -88.423 tors. eta vs tors. theta energy: -184.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2154.203393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.203393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.203393 (E_RNA) where: Base-Base interactions energy: -1514.809 where: short stacking energy: -612.776 Base-Backbone interact. energy: -0.263 local terms energy: -639.131847 where: bonds (distance) C4'-P energy: -126.755 bonds (distance) P-C4' energy: -99.180 flat angles C4'-P-C4' energy: -133.568 flat angles P-C4'-P energy: -96.213 tors. eta vs tors. theta energy: -183.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2104.950596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.950596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.950596 (E_RNA) where: Base-Base interactions energy: -1450.427 where: short stacking energy: -596.390 Base-Backbone interact. energy: -0.309 local terms energy: -654.214892 where: bonds (distance) C4'-P energy: -116.218 bonds (distance) P-C4' energy: -108.248 flat angles C4'-P-C4' energy: -139.257 flat angles P-C4'-P energy: -97.125 tors. eta vs tors. theta energy: -193.366 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: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1868.468006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.468006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.468006 (E_RNA) where: Base-Base interactions energy: -1289.556 where: short stacking energy: -526.251 Base-Backbone interact. energy: -0.914 local terms energy: -577.998796 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -122.190 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -142.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1725.494241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.494241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.494241 (E_RNA) where: Base-Base interactions energy: -1170.066 where: short stacking energy: -514.533 Base-Backbone interact. energy: 4.248 local terms energy: -559.676049 where: bonds (distance) C4'-P energy: -113.132 bonds (distance) P-C4' energy: -109.510 flat angles C4'-P-C4' energy: -127.717 flat angles P-C4'-P energy: -72.083 tors. eta vs tors. theta energy: -137.234 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: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1621.415314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.415314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.415314 (E_RNA) where: Base-Base interactions energy: -1068.285 where: short stacking energy: -446.130 Base-Backbone interact. energy: -0.309 local terms energy: -552.821341 where: bonds (distance) C4'-P energy: -118.359 bonds (distance) P-C4' energy: -115.483 flat angles C4'-P-C4' energy: -123.147 flat angles P-C4'-P energy: -70.236 tors. eta vs tors. theta energy: -125.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1432.662381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.662381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.662381 (E_RNA) where: Base-Base interactions energy: -937.761 where: short stacking energy: -403.905 Base-Backbone interact. energy: 2.273 local terms energy: -497.174179 where: bonds (distance) C4'-P energy: -92.364 bonds (distance) P-C4' energy: -109.807 flat angles C4'-P-C4' energy: -110.083 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -100.970 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: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1251.627910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.627910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.627910 (E_RNA) where: Base-Base interactions energy: -803.461 where: short stacking energy: -374.774 Base-Backbone interact. energy: -0.279 local terms energy: -447.887901 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -93.515 flat angles C4'-P-C4' energy: -106.555 flat angles P-C4'-P energy: -81.771 tors. eta vs tors. theta energy: -72.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1128.949680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.949680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.949680 (E_RNA) where: Base-Base interactions energy: -707.791 where: short stacking energy: -295.688 Base-Backbone interact. energy: -1.574 local terms energy: -419.584884 where: bonds (distance) C4'-P energy: -102.748 bonds (distance) P-C4' energy: -100.345 flat angles C4'-P-C4' energy: -91.971 flat angles P-C4'-P energy: -66.577 tors. eta vs tors. theta energy: -57.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -2311.104973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.104973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.104973 (E_RNA) where: Base-Base interactions energy: -1611.615 where: short stacking energy: -671.907 Base-Backbone interact. energy: 0.809 local terms energy: -700.299277 where: bonds (distance) C4'-P energy: -136.460 bonds (distance) P-C4' energy: -129.347 flat angles C4'-P-C4' energy: -140.963 flat angles P-C4'-P energy: -88.278 tors. eta vs tors. theta energy: -205.252 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2217.893391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.893391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.893391 (E_RNA) where: Base-Base interactions energy: -1546.615 where: short stacking energy: -639.998 Base-Backbone interact. energy: -1.996 local terms energy: -669.282788 where: bonds (distance) C4'-P energy: -111.569 bonds (distance) P-C4' energy: -132.168 flat angles C4'-P-C4' energy: -132.884 flat angles P-C4'-P energy: -103.295 tors. eta vs tors. theta energy: -189.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2147.524216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.524216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.524216 (E_RNA) where: Base-Base interactions energy: -1490.032 where: short stacking energy: -627.494 Base-Backbone interact. energy: 3.477 local terms energy: -660.969502 where: bonds (distance) C4'-P energy: -121.988 bonds (distance) P-C4' energy: -116.093 flat angles C4'-P-C4' energy: -130.459 flat angles P-C4'-P energy: -95.494 tors. eta vs tors. theta energy: -196.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2125.591020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.591020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.591020 (E_RNA) where: Base-Base interactions energy: -1492.627 where: short stacking energy: -618.829 Base-Backbone interact. energy: -0.889 local terms energy: -632.074791 where: bonds (distance) C4'-P energy: -104.519 bonds (distance) P-C4' energy: -128.774 flat angles C4'-P-C4' energy: -136.644 flat angles P-C4'-P energy: -79.683 tors. eta vs tors. theta energy: -182.455 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: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1836.018899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.018899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.018899 (E_RNA) where: Base-Base interactions energy: -1274.209 where: short stacking energy: -511.866 Base-Backbone interact. energy: -4.342 local terms energy: -557.467397 where: bonds (distance) C4'-P energy: -107.633 bonds (distance) P-C4' energy: -108.965 flat angles C4'-P-C4' energy: -121.534 flat angles P-C4'-P energy: -80.004 tors. eta vs tors. theta energy: -139.331 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: 276 Temperature: 1.150000 Total energy: -1713.477609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.477609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.477609 (E_RNA) where: Base-Base interactions energy: -1176.173 where: short stacking energy: -475.821 Base-Backbone interact. energy: -2.711 local terms energy: -534.594361 where: bonds (distance) C4'-P energy: -91.821 bonds (distance) P-C4' energy: -101.666 flat angles C4'-P-C4' energy: -115.103 flat angles P-C4'-P energy: -77.953 tors. eta vs tors. theta energy: -148.052 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: 7, replica: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1613.205732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.205732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.205732 (E_RNA) where: Base-Base interactions energy: -1088.804 where: short stacking energy: -482.600 Base-Backbone interact. energy: -0.748 local terms energy: -523.653541 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -94.691 flat angles C4'-P-C4' energy: -108.365 flat angles P-C4'-P energy: -71.104 tors. eta vs tors. theta energy: -138.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1392.414982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.414982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.414982 (E_RNA) where: Base-Base interactions energy: -879.320 where: short stacking energy: -400.669 Base-Backbone interact. energy: -0.257 local terms energy: -512.837976 where: bonds (distance) C4'-P energy: -96.096 bonds (distance) P-C4' energy: -120.528 flat angles C4'-P-C4' energy: -122.602 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: -97.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1169.102757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.102757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.102757 (E_RNA) where: Base-Base interactions energy: -736.578 where: short stacking energy: -319.001 Base-Backbone interact. energy: -0.613 local terms energy: -431.912181 where: bonds (distance) C4'-P energy: -97.404 bonds (distance) P-C4' energy: -110.364 flat angles C4'-P-C4' energy: -90.541 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -65.609 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: 276 Temperature: 1.350000 Total energy: -1104.378901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.378901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.378901 (E_RNA) where: Base-Base interactions energy: -684.989 where: short stacking energy: -313.294 Base-Backbone interact. energy: 2.363 local terms energy: -421.753379 where: bonds (distance) C4'-P energy: -97.491 bonds (distance) P-C4' energy: -102.383 flat angles C4'-P-C4' energy: -111.109 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -56.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -2268.261707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.261707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.261707 (E_RNA) where: Base-Base interactions energy: -1596.203 where: short stacking energy: -639.883 Base-Backbone interact. energy: -2.534 local terms energy: -669.524851 where: bonds (distance) C4'-P energy: -120.449 bonds (distance) P-C4' energy: -128.631 flat angles C4'-P-C4' energy: -139.028 flat angles P-C4'-P energy: -83.435 tors. eta vs tors. theta energy: -197.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2237.851066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.851066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.851066 (E_RNA) where: Base-Base interactions energy: -1531.985 where: short stacking energy: -648.419 Base-Backbone interact. energy: -1.257 local terms energy: -704.609615 where: bonds (distance) C4'-P energy: -131.105 bonds (distance) P-C4' energy: -132.730 flat angles C4'-P-C4' energy: -141.047 flat angles P-C4'-P energy: -91.793 tors. eta vs tors. theta energy: -207.934 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: 10 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2178.540662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.540662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.540662 (E_RNA) where: Base-Base interactions energy: -1545.542 where: short stacking energy: -593.490 Base-Backbone interact. energy: -1.911 local terms energy: -631.088180 where: bonds (distance) C4'-P energy: -101.050 bonds (distance) P-C4' energy: -127.049 flat angles C4'-P-C4' energy: -120.063 flat angles P-C4'-P energy: -88.334 tors. eta vs tors. theta energy: -194.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2127.398466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.398466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.398466 (E_RNA) where: Base-Base interactions energy: -1505.640 where: short stacking energy: -614.087 Base-Backbone interact. energy: 1.535 local terms energy: -623.294104 where: bonds (distance) C4'-P energy: -121.009 bonds (distance) P-C4' energy: -109.750 flat angles C4'-P-C4' energy: -124.303 flat angles P-C4'-P energy: -85.248 tors. eta vs tors. theta energy: -182.983 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: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1848.263599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.263599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.263599 (E_RNA) where: Base-Base interactions energy: -1282.922 where: short stacking energy: -515.143 Base-Backbone interact. energy: 1.357 local terms energy: -566.698605 where: bonds (distance) C4'-P energy: -111.402 bonds (distance) P-C4' energy: -112.354 flat angles C4'-P-C4' energy: -117.555 flat angles P-C4'-P energy: -83.757 tors. eta vs tors. theta energy: -141.630 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: 277 Temperature: 1.150000 Total energy: -1778.438937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.438937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.438937 (E_RNA) where: Base-Base interactions energy: -1182.869 where: short stacking energy: -499.837 Base-Backbone interact. energy: -1.595 local terms energy: -593.975462 where: bonds (distance) C4'-P energy: -114.749 bonds (distance) P-C4' energy: -121.871 flat angles C4'-P-C4' energy: -122.906 flat angles P-C4'-P energy: -89.863 tors. eta vs tors. theta energy: -144.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1657.049245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.049245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.049245 (E_RNA) where: Base-Base interactions energy: -1129.144 where: short stacking energy: -473.413 Base-Backbone interact. energy: -0.883 local terms energy: -527.022209 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -94.573 flat angles C4'-P-C4' energy: -117.744 flat angles P-C4'-P energy: -75.526 tors. eta vs tors. theta energy: -133.469 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: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1335.224925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.224925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.224925 (E_RNA) where: Base-Base interactions energy: -864.590 where: short stacking energy: -363.265 Base-Backbone interact. energy: -2.854 local terms energy: -467.780728 where: bonds (distance) C4'-P energy: -90.177 bonds (distance) P-C4' energy: -117.865 flat angles C4'-P-C4' energy: -116.779 flat angles P-C4'-P energy: -51.127 tors. eta vs tors. theta energy: -91.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1133.000330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.000330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.000330 (E_RNA) where: Base-Base interactions energy: -714.114 where: short stacking energy: -315.104 Base-Backbone interact. energy: -1.328 local terms energy: -417.559066 where: bonds (distance) C4'-P energy: -97.458 bonds (distance) P-C4' energy: -98.570 flat angles C4'-P-C4' energy: -89.469 flat angles P-C4'-P energy: -69.886 tors. eta vs tors. theta energy: -62.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1097.038916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.038916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.038916 (E_RNA) where: Base-Base interactions energy: -688.149 where: short stacking energy: -314.352 Base-Backbone interact. energy: -0.731 local terms energy: -408.158357 where: bonds (distance) C4'-P energy: -91.169 bonds (distance) P-C4' energy: -103.023 flat angles C4'-P-C4' energy: -99.971 flat angles P-C4'-P energy: -58.481 tors. eta vs tors. theta energy: -55.514 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: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -2279.294851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.294851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.294851 (E_RNA) where: Base-Base interactions energy: -1581.115 where: short stacking energy: -649.610 Base-Backbone interact. energy: -1.873 local terms energy: -696.307019 where: bonds (distance) C4'-P energy: -123.225 bonds (distance) P-C4' energy: -119.917 flat angles C4'-P-C4' energy: -147.190 flat angles P-C4'-P energy: -99.322 tors. eta vs tors. theta energy: -206.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2191.296172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.296172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.296172 (E_RNA) where: Base-Base interactions energy: -1494.088 where: short stacking energy: -647.397 Base-Backbone interact. energy: -2.891 local terms energy: -694.318034 where: bonds (distance) C4'-P energy: -130.059 bonds (distance) P-C4' energy: -133.817 flat angles C4'-P-C4' energy: -135.390 flat angles P-C4'-P energy: -95.364 tors. eta vs tors. theta energy: -199.688 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: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2180.181287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.181287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.181287 (E_RNA) where: Base-Base interactions energy: -1524.903 where: short stacking energy: -632.057 Base-Backbone interact. energy: -2.877 local terms energy: -652.401937 where: bonds (distance) C4'-P energy: -118.104 bonds (distance) P-C4' energy: -121.360 flat angles C4'-P-C4' energy: -131.430 flat angles P-C4'-P energy: -98.230 tors. eta vs tors. theta energy: -183.278 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: 4, replica: 10 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2137.300430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.300430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.300430 (E_RNA) where: Base-Base interactions energy: -1511.004 where: short stacking energy: -588.168 Base-Backbone interact. energy: -4.248 local terms energy: -622.048475 where: bonds (distance) C4'-P energy: -109.653 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -143.629 flat angles P-C4'-P energy: -91.407 tors. eta vs tors. theta energy: -177.002 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: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1789.576551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.576551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.576551 (E_RNA) where: Base-Base interactions energy: -1212.712 where: short stacking energy: -506.787 Base-Backbone interact. energy: -0.497 local terms energy: -576.367064 where: bonds (distance) C4'-P energy: -111.890 bonds (distance) P-C4' energy: -113.412 flat angles C4'-P-C4' energy: -118.918 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -156.802 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: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1839.631407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.631407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.631407 (E_RNA) where: Base-Base interactions energy: -1274.497 where: short stacking energy: -516.167 Base-Backbone interact. energy: 1.414 local terms energy: -566.548823 where: bonds (distance) C4'-P energy: -97.783 bonds (distance) P-C4' energy: -112.415 flat angles C4'-P-C4' energy: -121.369 flat angles P-C4'-P energy: -78.606 tors. eta vs tors. theta energy: -156.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1647.913651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.913651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.913651 (E_RNA) where: Base-Base interactions energy: -1110.573 where: short stacking energy: -452.843 Base-Backbone interact. energy: -1.695 local terms energy: -535.645962 where: bonds (distance) C4'-P energy: -102.524 bonds (distance) P-C4' energy: -104.620 flat angles C4'-P-C4' energy: -128.248 flat angles P-C4'-P energy: -67.662 tors. eta vs tors. theta energy: -132.591 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1417.986042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.986042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.986042 (E_RNA) where: Base-Base interactions energy: -950.104 where: short stacking energy: -418.001 Base-Backbone interact. energy: 1.538 local terms energy: -469.419679 where: bonds (distance) C4'-P energy: -91.780 bonds (distance) P-C4' energy: -85.303 flat angles C4'-P-C4' energy: -115.036 flat angles P-C4'-P energy: -61.994 tors. eta vs tors. theta energy: -115.307 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: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1196.140188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.140188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.140188 (E_RNA) where: Base-Base interactions energy: -760.468 where: short stacking energy: -344.352 Base-Backbone interact. energy: 4.208 local terms energy: -439.880609 where: bonds (distance) C4'-P energy: -107.410 bonds (distance) P-C4' energy: -103.220 flat angles C4'-P-C4' energy: -115.892 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -64.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1102.773638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.773638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.773638 (E_RNA) where: Base-Base interactions energy: -701.970 where: short stacking energy: -326.598 Base-Backbone interact. energy: 3.693 local terms energy: -404.496786 where: bonds (distance) C4'-P energy: -85.332 bonds (distance) P-C4' energy: -89.949 flat angles C4'-P-C4' energy: -108.459 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -58.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -2298.396080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.396080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.396080 (E_RNA) where: Base-Base interactions energy: -1607.247 where: short stacking energy: -663.735 Base-Backbone interact. energy: -3.761 local terms energy: -687.387925 where: bonds (distance) C4'-P energy: -121.449 bonds (distance) P-C4' energy: -120.356 flat angles C4'-P-C4' energy: -138.664 flat angles P-C4'-P energy: -99.064 tors. eta vs tors. theta energy: -207.855 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: 279 Temperature: 0.950000 Total energy: -2185.139583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.139583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.139583 (E_RNA) where: Base-Base interactions energy: -1481.254 where: short stacking energy: -635.209 Base-Backbone interact. energy: -1.132 local terms energy: -702.754010 where: bonds (distance) C4'-P energy: -130.653 bonds (distance) P-C4' energy: -121.334 flat angles C4'-P-C4' energy: -138.510 flat angles P-C4'-P energy: -104.739 tors. eta vs tors. theta energy: -207.519 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: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2191.491083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.491083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.491083 (E_RNA) where: Base-Base interactions energy: -1531.354 where: short stacking energy: -610.161 Base-Backbone interact. energy: -1.318 local terms energy: -658.818896 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -105.371 flat angles C4'-P-C4' energy: -146.363 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -188.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2115.992369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.992369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.992369 (E_RNA) where: Base-Base interactions energy: -1472.582 where: short stacking energy: -587.866 Base-Backbone interact. energy: -4.617 local terms energy: -638.793087 where: bonds (distance) C4'-P energy: -114.569 bonds (distance) P-C4' energy: -121.446 flat angles C4'-P-C4' energy: -124.989 flat angles P-C4'-P energy: -98.378 tors. eta vs tors. theta energy: -179.412 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: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1843.029816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.029816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.029816 (E_RNA) where: Base-Base interactions energy: -1265.843 where: short stacking energy: -532.311 Base-Backbone interact. energy: -1.648 local terms energy: -575.539473 where: bonds (distance) C4'-P energy: -107.636 bonds (distance) P-C4' energy: -111.365 flat angles C4'-P-C4' energy: -121.004 flat angles P-C4'-P energy: -87.976 tors. eta vs tors. theta energy: -147.558 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: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1791.540075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.540075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.540075 (E_RNA) where: Base-Base interactions energy: -1234.528 where: short stacking energy: -492.636 Base-Backbone interact. energy: 0.528 local terms energy: -557.539617 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -112.564 flat angles C4'-P-C4' energy: -125.442 flat angles P-C4'-P energy: -63.603 tors. eta vs tors. theta energy: -142.799 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: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1637.981818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.981818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.981818 (E_RNA) where: Base-Base interactions energy: -1103.918 where: short stacking energy: -475.909 Base-Backbone interact. energy: -0.031 local terms energy: -534.033014 where: bonds (distance) C4'-P energy: -112.217 bonds (distance) P-C4' energy: -100.889 flat angles C4'-P-C4' energy: -105.339 flat angles P-C4'-P energy: -84.308 tors. eta vs tors. theta energy: -131.280 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: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1422.614347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.614347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.614347 (E_RNA) where: Base-Base interactions energy: -935.515 where: short stacking energy: -398.682 Base-Backbone interact. energy: 0.323 local terms energy: -487.422161 where: bonds (distance) C4'-P energy: -84.275 bonds (distance) P-C4' energy: -99.268 flat angles C4'-P-C4' energy: -115.966 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -114.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1128.618608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.618608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.618608 (E_RNA) where: Base-Base interactions energy: -704.519 where: short stacking energy: -304.483 Base-Backbone interact. energy: 3.528 local terms energy: -427.627517 where: bonds (distance) C4'-P energy: -85.993 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -100.694 flat angles P-C4'-P energy: -73.951 tors. eta vs tors. theta energy: -58.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1123.671372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.671372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.671372 (E_RNA) where: Base-Base interactions energy: -702.352 where: short stacking energy: -314.831 Base-Backbone interact. energy: 2.942 local terms energy: -424.262177 where: bonds (distance) C4'-P energy: -85.944 bonds (distance) P-C4' energy: -106.602 flat angles C4'-P-C4' energy: -100.770 flat angles P-C4'-P energy: -62.697 tors. eta vs tors. theta energy: -68.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -2310.755858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.755858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.755858 (E_RNA) where: Base-Base interactions energy: -1616.668 where: short stacking energy: -648.401 Base-Backbone interact. energy: -1.528 local terms energy: -692.559672 where: bonds (distance) C4'-P energy: -128.323 bonds (distance) P-C4' energy: -124.546 flat angles C4'-P-C4' energy: -137.525 flat angles P-C4'-P energy: -95.681 tors. eta vs tors. theta energy: -206.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2213.339898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.339898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.339898 (E_RNA) where: Base-Base interactions energy: -1534.306 where: short stacking energy: -651.037 Base-Backbone interact. energy: -0.721 local terms energy: -678.312883 where: bonds (distance) C4'-P energy: -122.959 bonds (distance) P-C4' energy: -124.105 flat angles C4'-P-C4' energy: -151.083 flat angles P-C4'-P energy: -88.181 tors. eta vs tors. theta energy: -191.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2196.840318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.840318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.840318 (E_RNA) where: Base-Base interactions energy: -1551.245 where: short stacking energy: -631.601 Base-Backbone interact. energy: 0.876 local terms energy: -646.471430 where: bonds (distance) C4'-P energy: -101.678 bonds (distance) P-C4' energy: -129.999 flat angles C4'-P-C4' energy: -139.279 flat angles P-C4'-P energy: -90.077 tors. eta vs tors. theta energy: -185.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2139.033125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.033125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.033125 (E_RNA) where: Base-Base interactions energy: -1501.550 where: short stacking energy: -599.867 Base-Backbone interact. energy: -0.037 local terms energy: -637.445876 where: bonds (distance) C4'-P energy: -115.510 bonds (distance) P-C4' energy: -114.944 flat angles C4'-P-C4' energy: -135.730 flat angles P-C4'-P energy: -93.649 tors. eta vs tors. theta energy: -177.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1843.162048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.162048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.162048 (E_RNA) where: Base-Base interactions energy: -1283.370 where: short stacking energy: -520.621 Base-Backbone interact. energy: 3.147 local terms energy: -562.938990 where: bonds (distance) C4'-P energy: -102.005 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -124.734 flat angles P-C4'-P energy: -76.118 tors. eta vs tors. theta energy: -142.381 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: 280 Temperature: 1.150000 Total energy: -1805.058307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.058307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.058307 (E_RNA) where: Base-Base interactions energy: -1216.194 where: short stacking energy: -504.008 Base-Backbone interact. energy: -0.752 local terms energy: -588.112305 where: bonds (distance) C4'-P energy: -104.517 bonds (distance) P-C4' energy: -109.645 flat angles C4'-P-C4' energy: -132.991 flat angles P-C4'-P energy: -88.136 tors. eta vs tors. theta energy: -152.823 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: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1645.664023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.664023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.664023 (E_RNA) where: Base-Base interactions energy: -1115.487 where: short stacking energy: -478.094 Base-Backbone interact. energy: 1.044 local terms energy: -531.220997 where: bonds (distance) C4'-P energy: -111.482 bonds (distance) P-C4' energy: -105.459 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -63.715 tors. eta vs tors. theta energy: -134.233 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1438.225285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.225285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.225285 (E_RNA) where: Base-Base interactions energy: -925.357 where: short stacking energy: -391.387 Base-Backbone interact. energy: -1.243 local terms energy: -511.625623 where: bonds (distance) C4'-P energy: -101.334 bonds (distance) P-C4' energy: -124.512 flat angles C4'-P-C4' energy: -117.406 flat angles P-C4'-P energy: -60.943 tors. eta vs tors. theta energy: -107.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1144.825261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.825261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.825261 (E_RNA) where: Base-Base interactions energy: -705.929 where: short stacking energy: -308.363 Base-Backbone interact. energy: 0.564 local terms energy: -439.460279 where: bonds (distance) C4'-P energy: -100.274 bonds (distance) P-C4' energy: -105.623 flat angles C4'-P-C4' energy: -93.867 flat angles P-C4'-P energy: -59.293 tors. eta vs tors. theta energy: -80.403 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: 280 Temperature: 1.350000 Total energy: -1087.566650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.566650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.566650 (E_RNA) where: Base-Base interactions energy: -695.676 where: short stacking energy: -294.736 Base-Backbone interact. energy: 3.011 local terms energy: -394.901195 where: bonds (distance) C4'-P energy: -90.646 bonds (distance) P-C4' energy: -96.373 flat angles C4'-P-C4' energy: -104.700 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -59.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -2300.730214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.730214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.730214 (E_RNA) where: Base-Base interactions energy: -1603.229 where: short stacking energy: -654.815 Base-Backbone interact. energy: -0.018 local terms energy: -697.482225 where: bonds (distance) C4'-P energy: -127.398 bonds (distance) P-C4' energy: -114.817 flat angles C4'-P-C4' energy: -149.244 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -208.198 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: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2198.563435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.563435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.563435 (E_RNA) where: Base-Base interactions energy: -1506.780 where: short stacking energy: -618.444 Base-Backbone interact. energy: -2.716 local terms energy: -689.066722 where: bonds (distance) C4'-P energy: -120.249 bonds (distance) P-C4' energy: -124.034 flat angles C4'-P-C4' energy: -150.413 flat angles P-C4'-P energy: -96.522 tors. eta vs tors. theta energy: -197.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2165.589891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.589891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.589891 (E_RNA) where: Base-Base interactions energy: -1520.614 where: short stacking energy: -636.536 Base-Backbone interact. energy: -1.646 local terms energy: -643.330595 where: bonds (distance) C4'-P energy: -122.304 bonds (distance) P-C4' energy: -116.986 flat angles C4'-P-C4' energy: -125.624 flat angles P-C4'-P energy: -97.677 tors. eta vs tors. theta energy: -180.739 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2116.630358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.630358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.630358 (E_RNA) where: Base-Base interactions energy: -1506.714 where: short stacking energy: -584.605 Base-Backbone interact. energy: -2.003 local terms energy: -607.912978 where: bonds (distance) C4'-P energy: -108.142 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -139.625 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: -176.761 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: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1873.793795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.793795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.793795 (E_RNA) where: Base-Base interactions energy: -1321.169 where: short stacking energy: -519.865 Base-Backbone interact. energy: 1.056 local terms energy: -553.681311 where: bonds (distance) C4'-P energy: -99.105 bonds (distance) P-C4' energy: -97.401 flat angles C4'-P-C4' energy: -130.827 flat angles P-C4'-P energy: -77.119 tors. eta vs tors. theta energy: -149.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1763.296250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.296250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.296250 (E_RNA) where: Base-Base interactions energy: -1198.684 where: short stacking energy: -522.158 Base-Backbone interact. energy: -1.878 local terms energy: -562.733902 where: bonds (distance) C4'-P energy: -108.280 bonds (distance) P-C4' energy: -117.165 flat angles C4'-P-C4' energy: -128.619 flat angles P-C4'-P energy: -68.969 tors. eta vs tors. theta energy: -139.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1543.741499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.741499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.741499 (E_RNA) where: Base-Base interactions energy: -1052.251 where: short stacking energy: -453.869 Base-Backbone interact. energy: 2.724 local terms energy: -494.214683 where: bonds (distance) C4'-P energy: -105.074 bonds (distance) P-C4' energy: -89.582 flat angles C4'-P-C4' energy: -118.536 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -113.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1389.460967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.460967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.460967 (E_RNA) where: Base-Base interactions energy: -907.574 where: short stacking energy: -384.405 Base-Backbone interact. energy: 3.360 local terms energy: -485.246876 where: bonds (distance) C4'-P energy: -100.811 bonds (distance) P-C4' energy: -100.183 flat angles C4'-P-C4' energy: -103.950 flat angles P-C4'-P energy: -86.438 tors. eta vs tors. theta energy: -93.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1113.277160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.277160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.277160 (E_RNA) where: Base-Base interactions energy: -726.110 where: short stacking energy: -306.246 Base-Backbone interact. energy: -0.623 local terms energy: -386.543921 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -101.877 flat angles C4'-P-C4' energy: -91.744 flat angles P-C4'-P energy: -51.795 tors. eta vs tors. theta energy: -57.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1167.702379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.702379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.702379 (E_RNA) where: Base-Base interactions energy: -729.224 where: short stacking energy: -331.302 Base-Backbone interact. energy: 2.565 local terms energy: -441.043390 where: bonds (distance) C4'-P energy: -94.578 bonds (distance) P-C4' energy: -89.343 flat angles C4'-P-C4' energy: -98.811 flat angles P-C4'-P energy: -79.991 tors. eta vs tors. theta energy: -78.320 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: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -2302.634959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.634959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.634959 (E_RNA) where: Base-Base interactions energy: -1606.749 where: short stacking energy: -655.854 Base-Backbone interact. energy: -1.364 local terms energy: -694.521562 where: bonds (distance) C4'-P energy: -118.596 bonds (distance) P-C4' energy: -124.773 flat angles C4'-P-C4' energy: -150.139 flat angles P-C4'-P energy: -97.572 tors. eta vs tors. theta energy: -203.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2216.708238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.708238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.708238 (E_RNA) where: Base-Base interactions energy: -1549.468 where: short stacking energy: -641.966 Base-Backbone interact. energy: -2.645 local terms energy: -664.595328 where: bonds (distance) C4'-P energy: -102.894 bonds (distance) P-C4' energy: -119.655 flat angles C4'-P-C4' energy: -140.238 flat angles P-C4'-P energy: -106.843 tors. eta vs tors. theta energy: -194.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2168.572785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.572785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.572785 (E_RNA) where: Base-Base interactions energy: -1496.894 where: short stacking energy: -600.159 Base-Backbone interact. energy: -1.477 local terms energy: -670.201134 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -130.654 flat angles C4'-P-C4' energy: -138.889 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -185.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2119.772751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.772751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.772751 (E_RNA) where: Base-Base interactions energy: -1508.263 where: short stacking energy: -592.491 Base-Backbone interact. energy: -2.807 local terms energy: -608.702029 where: bonds (distance) C4'-P energy: -107.222 bonds (distance) P-C4' energy: -108.562 flat angles C4'-P-C4' energy: -132.389 flat angles P-C4'-P energy: -88.771 tors. eta vs tors. theta energy: -171.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1891.890638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.890638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.890638 (E_RNA) where: Base-Base interactions energy: -1329.202 where: short stacking energy: -526.819 Base-Backbone interact. energy: -3.983 local terms energy: -558.705977 where: bonds (distance) C4'-P energy: -121.966 bonds (distance) P-C4' energy: -101.389 flat angles C4'-P-C4' energy: -115.790 flat angles P-C4'-P energy: -76.335 tors. eta vs tors. theta energy: -143.225 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: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1750.932358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.932358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.932358 (E_RNA) where: Base-Base interactions energy: -1206.846 where: short stacking energy: -493.550 Base-Backbone interact. energy: -2.220 local terms energy: -541.866177 where: bonds (distance) C4'-P energy: -115.057 bonds (distance) P-C4' energy: -89.282 flat angles C4'-P-C4' energy: -122.290 flat angles P-C4'-P energy: -72.702 tors. eta vs tors. theta energy: -142.535 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: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1508.186536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.186536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.186536 (E_RNA) where: Base-Base interactions energy: -985.623 where: short stacking energy: -427.286 Base-Backbone interact. energy: -0.654 local terms energy: -521.909398 where: bonds (distance) C4'-P energy: -98.462 bonds (distance) P-C4' energy: -114.877 flat angles C4'-P-C4' energy: -124.809 flat angles P-C4'-P energy: -70.808 tors. eta vs tors. theta energy: -112.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1367.312906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.312906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.312906 (E_RNA) where: Base-Base interactions energy: -895.651 where: short stacking energy: -378.973 Base-Backbone interact. energy: 10.674 local terms energy: -482.335631 where: bonds (distance) C4'-P energy: -99.032 bonds (distance) P-C4' energy: -119.406 flat angles C4'-P-C4' energy: -104.156 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -89.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1181.211318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.211318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.211318 (E_RNA) where: Base-Base interactions energy: -754.340 where: short stacking energy: -331.302 Base-Backbone interact. energy: 1.959 local terms energy: -428.830186 where: bonds (distance) C4'-P energy: -91.439 bonds (distance) P-C4' energy: -103.212 flat angles C4'-P-C4' energy: -84.440 flat angles P-C4'-P energy: -59.082 tors. eta vs tors. theta energy: -90.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1084.075792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.075792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.075792 (E_RNA) where: Base-Base interactions energy: -725.215 where: short stacking energy: -321.892 Base-Backbone interact. energy: -0.139 local terms energy: -358.721638 where: bonds (distance) C4'-P energy: -82.487 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -84.910 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -51.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -2292.779654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.779654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.779654 (E_RNA) where: Base-Base interactions energy: -1587.556 where: short stacking energy: -651.117 Base-Backbone interact. energy: -3.656 local terms energy: -701.567212 where: bonds (distance) C4'-P energy: -127.305 bonds (distance) P-C4' energy: -131.449 flat angles C4'-P-C4' energy: -143.372 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -208.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2215.432329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.432329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.432329 (E_RNA) where: Base-Base interactions energy: -1540.771 where: short stacking energy: -645.036 Base-Backbone interact. energy: -3.299 local terms energy: -671.362130 where: bonds (distance) C4'-P energy: -119.977 bonds (distance) P-C4' energy: -121.576 flat angles C4'-P-C4' energy: -129.586 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -201.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2118.557237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.557237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.557237 (E_RNA) where: Base-Base interactions energy: -1476.399 where: short stacking energy: -593.337 Base-Backbone interact. energy: -2.599 local terms energy: -639.558679 where: bonds (distance) C4'-P energy: -113.131 bonds (distance) P-C4' energy: -102.064 flat angles C4'-P-C4' energy: -146.600 flat angles P-C4'-P energy: -96.524 tors. eta vs tors. theta energy: -181.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2144.775504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.775504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.775504 (E_RNA) where: Base-Base interactions energy: -1515.911 where: short stacking energy: -575.688 Base-Backbone interact. energy: 2.011 local terms energy: -630.875572 where: bonds (distance) C4'-P energy: -108.443 bonds (distance) P-C4' energy: -108.623 flat angles C4'-P-C4' energy: -140.854 flat angles P-C4'-P energy: -92.656 tors. eta vs tors. theta energy: -180.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1872.542974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.542974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.542974 (E_RNA) where: Base-Base interactions energy: -1307.440 where: short stacking energy: -525.550 Base-Backbone interact. energy: -2.626 local terms energy: -562.476965 where: bonds (distance) C4'-P energy: -101.451 bonds (distance) P-C4' energy: -99.195 flat angles C4'-P-C4' energy: -133.946 flat angles P-C4'-P energy: -72.085 tors. eta vs tors. theta energy: -155.800 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: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1776.531545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.531545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.531545 (E_RNA) where: Base-Base interactions energy: -1226.561 where: short stacking energy: -529.813 Base-Backbone interact. energy: 0.533 local terms energy: -550.503719 where: bonds (distance) C4'-P energy: -91.632 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -125.849 flat angles P-C4'-P energy: -76.946 tors. eta vs tors. theta energy: -150.692 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: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1570.175915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.175915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.175915 (E_RNA) where: Base-Base interactions energy: -1074.166 where: short stacking energy: -477.082 Base-Backbone interact. energy: 0.271 local terms energy: -496.280441 where: bonds (distance) C4'-P energy: -94.391 bonds (distance) P-C4' energy: -105.118 flat angles C4'-P-C4' energy: -113.452 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -121.578 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: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1462.444735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.444735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.444735 (E_RNA) where: Base-Base interactions energy: -939.372 where: short stacking energy: -423.747 Base-Backbone interact. energy: -0.786 local terms energy: -522.286628 where: bonds (distance) C4'-P energy: -117.480 bonds (distance) P-C4' energy: -114.431 flat angles C4'-P-C4' energy: -102.066 flat angles P-C4'-P energy: -75.927 tors. eta vs tors. theta energy: -112.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1206.082665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.082665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.082665 (E_RNA) where: Base-Base interactions energy: -771.591 where: short stacking energy: -350.692 Base-Backbone interact. energy: -2.272 local terms energy: -432.219288 where: bonds (distance) C4'-P energy: -92.438 bonds (distance) P-C4' energy: -93.958 flat angles C4'-P-C4' energy: -110.444 flat angles P-C4'-P energy: -65.175 tors. eta vs tors. theta energy: -70.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1127.347093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.347093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.347093 (E_RNA) where: Base-Base interactions energy: -722.220 where: short stacking energy: -311.497 Base-Backbone interact. energy: 5.881 local terms energy: -411.008804 where: bonds (distance) C4'-P energy: -86.659 bonds (distance) P-C4' energy: -102.011 flat angles C4'-P-C4' energy: -95.133 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -63.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2296.373105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.373105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.373105 (E_RNA) where: Base-Base interactions energy: -1610.071 where: short stacking energy: -657.263 Base-Backbone interact. energy: 1.533 local terms energy: -687.835274 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -117.717 flat angles C4'-P-C4' energy: -147.221 flat angles P-C4'-P energy: -92.862 tors. eta vs tors. theta energy: -202.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2196.818171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.818171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.818171 (E_RNA) where: Base-Base interactions energy: -1517.860 where: short stacking energy: -636.887 Base-Backbone interact. energy: -0.503 local terms energy: -678.454967 where: bonds (distance) C4'-P energy: -125.525 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -138.163 flat angles P-C4'-P energy: -109.177 tors. eta vs tors. theta energy: -191.536 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: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2189.597630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.597630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.597630 (E_RNA) where: Base-Base interactions energy: -1546.704 where: short stacking energy: -620.163 Base-Backbone interact. energy: -1.893 local terms energy: -641.000597 where: bonds (distance) C4'-P energy: -126.532 bonds (distance) P-C4' energy: -110.704 flat angles C4'-P-C4' energy: -137.648 flat angles P-C4'-P energy: -82.612 tors. eta vs tors. theta energy: -183.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2096.019962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.019962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.019962 (E_RNA) where: Base-Base interactions energy: -1462.908 where: short stacking energy: -595.360 Base-Backbone interact. energy: -1.061 local terms energy: -632.051203 where: bonds (distance) C4'-P energy: -120.521 bonds (distance) P-C4' energy: -100.729 flat angles C4'-P-C4' energy: -140.296 flat angles P-C4'-P energy: -86.034 tors. eta vs tors. theta energy: -184.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1923.695633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.695633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.695633 (E_RNA) where: Base-Base interactions energy: -1359.455 where: short stacking energy: -520.848 Base-Backbone interact. energy: -2.663 local terms energy: -561.577857 where: bonds (distance) C4'-P energy: -87.885 bonds (distance) P-C4' energy: -110.736 flat angles C4'-P-C4' energy: -120.588 flat angles P-C4'-P energy: -88.239 tors. eta vs tors. theta energy: -154.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1718.501875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.501875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.501875 (E_RNA) where: Base-Base interactions energy: -1169.617 where: short stacking energy: -500.868 Base-Backbone interact. energy: 1.397 local terms energy: -550.282356 where: bonds (distance) C4'-P energy: -112.334 bonds (distance) P-C4' energy: -100.592 flat angles C4'-P-C4' energy: -110.064 flat angles P-C4'-P energy: -96.214 tors. eta vs tors. theta energy: -131.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1649.179367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.179367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.179367 (E_RNA) where: Base-Base interactions energy: -1100.177 where: short stacking energy: -485.205 Base-Backbone interact. energy: -2.029 local terms energy: -546.973549 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -110.777 flat angles C4'-P-C4' energy: -127.342 flat angles P-C4'-P energy: -88.677 tors. eta vs tors. theta energy: -125.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1443.893624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.893624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.893624 (E_RNA) where: Base-Base interactions energy: -962.928 where: short stacking energy: -418.290 Base-Backbone interact. energy: 0.034 local terms energy: -480.998936 where: bonds (distance) C4'-P energy: -92.792 bonds (distance) P-C4' energy: -103.130 flat angles C4'-P-C4' energy: -120.531 flat angles P-C4'-P energy: -61.262 tors. eta vs tors. theta energy: -103.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1166.780943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.780943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.780943 (E_RNA) where: Base-Base interactions energy: -724.482 where: short stacking energy: -302.326 Base-Backbone interact. energy: -3.993 local terms energy: -438.306306 where: bonds (distance) C4'-P energy: -99.356 bonds (distance) P-C4' energy: -100.467 flat angles C4'-P-C4' energy: -117.954 flat angles P-C4'-P energy: -55.829 tors. eta vs tors. theta energy: -64.701 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: 10, replica: 3 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1134.763057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.763057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.763057 (E_RNA) where: Base-Base interactions energy: -729.047 where: short stacking energy: -305.550 Base-Backbone interact. energy: -0.113 local terms energy: -405.602647 where: bonds (distance) C4'-P energy: -109.134 bonds (distance) P-C4' energy: -91.029 flat angles C4'-P-C4' energy: -94.452 flat angles P-C4'-P energy: -50.181 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: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -2309.486962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.486962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.486962 (E_RNA) where: Base-Base interactions energy: -1608.804 where: short stacking energy: -667.896 Base-Backbone interact. energy: -1.129 local terms energy: -699.554702 where: bonds (distance) C4'-P energy: -114.721 bonds (distance) P-C4' energy: -139.870 flat angles C4'-P-C4' energy: -147.671 flat angles P-C4'-P energy: -97.206 tors. eta vs tors. theta energy: -200.088 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: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2245.125725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.125725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.125725 (E_RNA) where: Base-Base interactions energy: -1569.831 where: short stacking energy: -615.302 Base-Backbone interact. energy: -3.562 local terms energy: -671.733238 where: bonds (distance) C4'-P energy: -117.920 bonds (distance) P-C4' energy: -125.693 flat angles C4'-P-C4' energy: -149.259 flat angles P-C4'-P energy: -81.210 tors. eta vs tors. theta energy: -197.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2175.560284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.560284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.560284 (E_RNA) where: Base-Base interactions energy: -1516.814 where: short stacking energy: -632.058 Base-Backbone interact. energy: -0.586 local terms energy: -658.160194 where: bonds (distance) C4'-P energy: -116.343 bonds (distance) P-C4' energy: -109.378 flat angles C4'-P-C4' energy: -140.227 flat angles P-C4'-P energy: -93.257 tors. eta vs tors. theta energy: -198.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2091.364712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.364712 (E_RNA) where: Base-Base interactions energy: -1492.313 where: short stacking energy: -602.366 Base-Backbone interact. energy: -1.201 local terms energy: -597.851535 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -106.544 flat angles C4'-P-C4' energy: -139.562 flat angles P-C4'-P energy: -84.264 tors. eta vs tors. theta energy: -166.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1900.846498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.846498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.846498 (E_RNA) where: Base-Base interactions energy: -1339.918 where: short stacking energy: -519.724 Base-Backbone interact. energy: -1.688 local terms energy: -559.240190 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -116.140 flat angles P-C4'-P energy: -82.604 tors. eta vs tors. theta energy: -155.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1730.187787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.187787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.187787 (E_RNA) where: Base-Base interactions energy: -1172.393 where: short stacking energy: -485.139 Base-Backbone interact. energy: 0.631 local terms energy: -558.425462 where: bonds (distance) C4'-P energy: -101.367 bonds (distance) P-C4' energy: -124.886 flat angles C4'-P-C4' energy: -120.944 flat angles P-C4'-P energy: -72.975 tors. eta vs tors. theta energy: -138.254 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: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1627.250380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.250380 (E_RNA) where: Base-Base interactions energy: -1080.713 where: short stacking energy: -454.662 Base-Backbone interact. energy: -0.685 local terms energy: -545.852678 where: bonds (distance) C4'-P energy: -104.343 bonds (distance) P-C4' energy: -109.119 flat angles C4'-P-C4' energy: -120.371 flat angles P-C4'-P energy: -74.634 tors. eta vs tors. theta energy: -137.386 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: 8, replica: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1408.965603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.965603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.965603 (E_RNA) where: Base-Base interactions energy: -913.709 where: short stacking energy: -399.422 Base-Backbone interact. energy: 4.025 local terms energy: -499.281285 where: bonds (distance) C4'-P energy: -106.277 bonds (distance) P-C4' energy: -112.142 flat angles C4'-P-C4' energy: -120.918 flat angles P-C4'-P energy: -75.082 tors. eta vs tors. theta energy: -84.861 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: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1136.486951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.486951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.486951 (E_RNA) where: Base-Base interactions energy: -723.569 where: short stacking energy: -337.924 Base-Backbone interact. energy: 9.350 local terms energy: -422.268435 where: bonds (distance) C4'-P energy: -110.759 bonds (distance) P-C4' energy: -104.004 flat angles C4'-P-C4' energy: -100.206 flat angles P-C4'-P energy: -46.444 tors. eta vs tors. theta energy: -60.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1081.313841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.313841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.313841 (E_RNA) where: Base-Base interactions energy: -681.809 where: short stacking energy: -298.311 Base-Backbone interact. energy: -0.090 local terms energy: -399.415019 where: bonds (distance) C4'-P energy: -104.429 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -100.806 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -37.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -2324.655196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.655196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.655196 (E_RNA) where: Base-Base interactions energy: -1610.108 where: short stacking energy: -647.635 Base-Backbone interact. energy: -2.819 local terms energy: -711.728351 where: bonds (distance) C4'-P energy: -130.746 bonds (distance) P-C4' energy: -137.946 flat angles C4'-P-C4' energy: -144.344 flat angles P-C4'-P energy: -100.699 tors. eta vs tors. theta energy: -197.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2237.928558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.928558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.928558 (E_RNA) where: Base-Base interactions energy: -1571.721 where: short stacking energy: -627.442 Base-Backbone interact. energy: -4.639 local terms energy: -661.568592 where: bonds (distance) C4'-P energy: -115.022 bonds (distance) P-C4' energy: -119.954 flat angles C4'-P-C4' energy: -134.874 flat angles P-C4'-P energy: -101.545 tors. eta vs tors. theta energy: -190.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2160.389802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.389802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.389802 (E_RNA) where: Base-Base interactions energy: -1489.470 where: short stacking energy: -611.440 Base-Backbone interact. energy: -5.167 local terms energy: -665.752482 where: bonds (distance) C4'-P energy: -126.362 bonds (distance) P-C4' energy: -113.416 flat angles C4'-P-C4' energy: -143.830 flat angles P-C4'-P energy: -87.166 tors. eta vs tors. theta energy: -194.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2073.087491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.087491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.087491 (E_RNA) where: Base-Base interactions energy: -1457.361 where: short stacking energy: -612.127 Base-Backbone interact. energy: 3.216 local terms energy: -618.942504 where: bonds (distance) C4'-P energy: -100.077 bonds (distance) P-C4' energy: -116.570 flat angles C4'-P-C4' energy: -126.734 flat angles P-C4'-P energy: -92.604 tors. eta vs tors. theta energy: -182.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1936.032544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.032544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.032544 (E_RNA) where: Base-Base interactions energy: -1333.102 where: short stacking energy: -520.312 Base-Backbone interact. energy: -2.354 local terms energy: -600.576436 where: bonds (distance) C4'-P energy: -122.946 bonds (distance) P-C4' energy: -115.758 flat angles C4'-P-C4' energy: -119.557 flat angles P-C4'-P energy: -92.260 tors. eta vs tors. theta energy: -150.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1733.485904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.485904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.485904 (E_RNA) where: Base-Base interactions energy: -1185.867 where: short stacking energy: -491.621 Base-Backbone interact. energy: 0.088 local terms energy: -547.707460 where: bonds (distance) C4'-P energy: -103.945 bonds (distance) P-C4' energy: -104.687 flat angles C4'-P-C4' energy: -113.831 flat angles P-C4'-P energy: -81.795 tors. eta vs tors. theta energy: -143.449 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1589.965278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.965278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.965278 (E_RNA) where: Base-Base interactions energy: -1069.827 where: short stacking energy: -469.680 Base-Backbone interact. energy: 0.696 local terms energy: -520.834994 where: bonds (distance) C4'-P energy: -93.771 bonds (distance) P-C4' energy: -112.955 flat angles C4'-P-C4' energy: -111.137 flat angles P-C4'-P energy: -77.078 tors. eta vs tors. theta energy: -125.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1403.596339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.596339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.596339 (E_RNA) where: Base-Base interactions energy: -946.900 where: short stacking energy: -385.984 Base-Backbone interact. energy: 0.290 local terms energy: -456.987159 where: bonds (distance) C4'-P energy: -98.484 bonds (distance) P-C4' energy: -83.493 flat angles C4'-P-C4' energy: -111.820 flat angles P-C4'-P energy: -71.557 tors. eta vs tors. theta energy: -91.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1187.764759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.764759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.764759 (E_RNA) where: Base-Base interactions energy: -742.672 where: short stacking energy: -330.267 Base-Backbone interact. energy: -1.083 local terms energy: -444.009697 where: bonds (distance) C4'-P energy: -106.929 bonds (distance) P-C4' energy: -92.095 flat angles C4'-P-C4' energy: -104.505 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -66.578 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: 10, replica: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1062.006718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.006718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.006718 (E_RNA) where: Base-Base interactions energy: -670.541 where: short stacking energy: -287.001 Base-Backbone interact. energy: -0.385 local terms energy: -391.080664 where: bonds (distance) C4'-P energy: -93.985 bonds (distance) P-C4' energy: -103.802 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -65.992 tors. eta vs tors. theta energy: -47.551 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: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -2309.308320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.308320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.308320 (E_RNA) where: Base-Base interactions energy: -1619.988 where: short stacking energy: -666.896 Base-Backbone interact. energy: -1.421 local terms energy: -687.899988 where: bonds (distance) C4'-P energy: -134.334 bonds (distance) P-C4' energy: -108.264 flat angles C4'-P-C4' energy: -142.383 flat angles P-C4'-P energy: -99.761 tors. eta vs tors. theta energy: -203.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2251.290139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.290139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.290139 (E_RNA) where: Base-Base interactions energy: -1617.709 where: short stacking energy: -637.599 Base-Backbone interact. energy: 0.555 local terms energy: -634.136479 where: bonds (distance) C4'-P energy: -113.897 bonds (distance) P-C4' energy: -114.495 flat angles C4'-P-C4' energy: -134.291 flat angles P-C4'-P energy: -79.428 tors. eta vs tors. theta energy: -192.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2171.103711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.103711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.103711 (E_RNA) where: Base-Base interactions energy: -1516.362 where: short stacking energy: -625.808 Base-Backbone interact. energy: -4.259 local terms energy: -650.482461 where: bonds (distance) C4'-P energy: -122.992 bonds (distance) P-C4' energy: -100.431 flat angles C4'-P-C4' energy: -135.462 flat angles P-C4'-P energy: -97.305 tors. eta vs tors. theta energy: -194.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2117.617953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.617953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.617953 (E_RNA) where: Base-Base interactions energy: -1493.263 where: short stacking energy: -612.415 Base-Backbone interact. energy: -1.240 local terms energy: -623.115007 where: bonds (distance) C4'-P energy: -109.489 bonds (distance) P-C4' energy: -117.923 flat angles C4'-P-C4' energy: -133.932 flat angles P-C4'-P energy: -88.934 tors. eta vs tors. theta energy: -172.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1928.066627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.066627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.066627 (E_RNA) where: Base-Base interactions energy: -1329.010 where: short stacking energy: -563.432 Base-Backbone interact. energy: -1.222 local terms energy: -597.834619 where: bonds (distance) C4'-P energy: -102.356 bonds (distance) P-C4' energy: -116.209 flat angles C4'-P-C4' energy: -120.141 flat angles P-C4'-P energy: -78.881 tors. eta vs tors. theta energy: -180.248 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: 6, replica: 5 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1712.145660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.145660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.145660 (E_RNA) where: Base-Base interactions energy: -1160.412 where: short stacking energy: -473.521 Base-Backbone interact. energy: -0.476 local terms energy: -551.257790 where: bonds (distance) C4'-P energy: -99.243 bonds (distance) P-C4' energy: -117.201 flat angles C4'-P-C4' energy: -117.503 flat angles P-C4'-P energy: -80.538 tors. eta vs tors. theta energy: -136.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1583.688106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.688106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.688106 (E_RNA) where: Base-Base interactions energy: -1045.890 where: short stacking energy: -427.613 Base-Backbone interact. energy: 0.644 local terms energy: -538.441992 where: bonds (distance) C4'-P energy: -91.337 bonds (distance) P-C4' energy: -119.434 flat angles C4'-P-C4' energy: -121.610 flat angles P-C4'-P energy: -84.434 tors. eta vs tors. theta energy: -121.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1437.356982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.356982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.356982 (E_RNA) where: Base-Base interactions energy: -948.137 where: short stacking energy: -409.703 Base-Backbone interact. energy: 0.664 local terms energy: -489.883800 where: bonds (distance) C4'-P energy: -95.544 bonds (distance) P-C4' energy: -103.134 flat angles C4'-P-C4' energy: -117.446 flat angles P-C4'-P energy: -67.459 tors. eta vs tors. theta energy: -106.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1223.401131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.401131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.401131 (E_RNA) where: Base-Base interactions energy: -781.162 where: short stacking energy: -355.597 Base-Backbone interact. energy: 0.635 local terms energy: -442.873827 where: bonds (distance) C4'-P energy: -99.022 bonds (distance) P-C4' energy: -110.195 flat angles C4'-P-C4' energy: -106.307 flat angles P-C4'-P energy: -63.609 tors. eta vs tors. theta energy: -63.740 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: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1023.967747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.967747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.967747 (E_RNA) where: Base-Base interactions energy: -651.044 where: short stacking energy: -280.448 Base-Backbone interact. energy: 3.468 local terms energy: -376.392143 where: bonds (distance) C4'-P energy: -106.864 bonds (distance) P-C4' energy: -101.749 flat angles C4'-P-C4' energy: -91.576 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -32.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -2298.813716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.813716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.813716 (E_RNA) where: Base-Base interactions energy: -1619.206 where: short stacking energy: -654.068 Base-Backbone interact. energy: -1.337 local terms energy: -678.271211 where: bonds (distance) C4'-P energy: -123.002 bonds (distance) P-C4' energy: -117.895 flat angles C4'-P-C4' energy: -138.934 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -201.721 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: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2252.018303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.018303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.018303 (E_RNA) where: Base-Base interactions energy: -1603.096 where: short stacking energy: -630.907 Base-Backbone interact. energy: -2.376 local terms energy: -646.545535 where: bonds (distance) C4'-P energy: -114.687 bonds (distance) P-C4' energy: -123.800 flat angles C4'-P-C4' energy: -133.348 flat angles P-C4'-P energy: -84.579 tors. eta vs tors. theta energy: -190.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2189.862018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.862018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.862018 (E_RNA) where: Base-Base interactions energy: -1505.491 where: short stacking energy: -637.444 Base-Backbone interact. energy: -1.824 local terms energy: -682.546353 where: bonds (distance) C4'-P energy: -122.238 bonds (distance) P-C4' energy: -118.526 flat angles C4'-P-C4' energy: -143.919 flat angles P-C4'-P energy: -100.970 tors. eta vs tors. theta energy: -196.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2112.587747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.587747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.587747 (E_RNA) where: Base-Base interactions energy: -1488.743 where: short stacking energy: -624.160 Base-Backbone interact. energy: 3.046 local terms energy: -626.890239 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -110.831 flat angles C4'-P-C4' energy: -135.291 flat angles P-C4'-P energy: -97.078 tors. eta vs tors. theta energy: -183.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1955.583539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.583539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.583539 (E_RNA) where: Base-Base interactions energy: -1334.932 where: short stacking energy: -537.519 Base-Backbone interact. energy: -2.471 local terms energy: -618.180257 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -119.044 flat angles C4'-P-C4' energy: -132.098 flat angles P-C4'-P energy: -92.278 tors. eta vs tors. theta energy: -162.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1659.326805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.326805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.326805 (E_RNA) where: Base-Base interactions energy: -1110.916 where: short stacking energy: -484.574 Base-Backbone interact. energy: 0.137 local terms energy: -548.547387 where: bonds (distance) C4'-P energy: -115.418 bonds (distance) P-C4' energy: -118.450 flat angles C4'-P-C4' energy: -119.754 flat angles P-C4'-P energy: -70.283 tors. eta vs tors. theta energy: -124.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1624.765624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.765624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.765624 (E_RNA) where: Base-Base interactions energy: -1091.057 where: short stacking energy: -465.477 Base-Backbone interact. energy: -0.766 local terms energy: -532.943012 where: bonds (distance) C4'-P energy: -93.915 bonds (distance) P-C4' energy: -104.550 flat angles C4'-P-C4' energy: -118.070 flat angles P-C4'-P energy: -69.362 tors. eta vs tors. theta energy: -147.046 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: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1409.186806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.186806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.186806 (E_RNA) where: Base-Base interactions energy: -934.372 where: short stacking energy: -413.513 Base-Backbone interact. energy: -0.793 local terms energy: -474.021892 where: bonds (distance) C4'-P energy: -96.059 bonds (distance) P-C4' energy: -92.506 flat angles C4'-P-C4' energy: -114.128 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -93.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1216.770237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.770237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.770237 (E_RNA) where: Base-Base interactions energy: -751.418 where: short stacking energy: -331.977 Base-Backbone interact. energy: 0.395 local terms energy: -465.747554 where: bonds (distance) C4'-P energy: -96.025 bonds (distance) P-C4' energy: -103.658 flat angles C4'-P-C4' energy: -113.555 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -77.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -994.213356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.213356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.213356 (E_RNA) where: Base-Base interactions energy: -596.446 where: short stacking energy: -269.760 Base-Backbone interact. energy: -1.160 local terms energy: -396.608025 where: bonds (distance) C4'-P energy: -100.122 bonds (distance) P-C4' energy: -102.355 flat angles C4'-P-C4' energy: -103.162 flat angles P-C4'-P energy: -55.080 tors. eta vs tors. theta energy: -35.889 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: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2327.449396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.449396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.449396 (E_RNA) where: Base-Base interactions energy: -1634.248 where: short stacking energy: -661.283 Base-Backbone interact. energy: -1.598 local terms energy: -691.604168 where: bonds (distance) C4'-P energy: -118.651 bonds (distance) P-C4' energy: -128.612 flat angles C4'-P-C4' energy: -148.080 flat angles P-C4'-P energy: -100.691 tors. eta vs tors. theta energy: -195.570 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: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2252.878058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.878058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.878058 (E_RNA) where: Base-Base interactions energy: -1577.846 where: short stacking energy: -636.897 Base-Backbone interact. energy: -5.896 local terms energy: -669.135370 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -115.103 flat angles C4'-P-C4' energy: -144.756 flat angles P-C4'-P energy: -98.020 tors. eta vs tors. theta energy: -193.598 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: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2177.512469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.512469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.512469 (E_RNA) where: Base-Base interactions energy: -1497.690 where: short stacking energy: -621.610 Base-Backbone interact. energy: -1.998 local terms energy: -677.825146 where: bonds (distance) C4'-P energy: -115.244 bonds (distance) P-C4' energy: -118.273 flat angles C4'-P-C4' energy: -143.834 flat angles P-C4'-P energy: -100.455 tors. eta vs tors. theta energy: -200.019 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: 6 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2120.287740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.287740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.287740 (E_RNA) where: Base-Base interactions energy: -1478.346 where: short stacking energy: -620.332 Base-Backbone interact. energy: -0.084 local terms energy: -641.857928 where: bonds (distance) C4'-P energy: -103.452 bonds (distance) P-C4' energy: -116.016 flat angles C4'-P-C4' energy: -132.014 flat angles P-C4'-P energy: -111.598 tors. eta vs tors. theta energy: -178.778 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: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1843.057763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.057763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.057763 (E_RNA) where: Base-Base interactions energy: -1281.859 where: short stacking energy: -509.543 Base-Backbone interact. energy: -1.926 local terms energy: -559.273117 where: bonds (distance) C4'-P energy: -101.791 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -115.684 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -148.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1627.300588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.300588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.300588 (E_RNA) where: Base-Base interactions energy: -1090.555 where: short stacking energy: -479.491 Base-Backbone interact. energy: 3.896 local terms energy: -540.641534 where: bonds (distance) C4'-P energy: -110.568 bonds (distance) P-C4' energy: -91.065 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -86.699 tors. eta vs tors. theta energy: -137.137 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: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1594.850392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.850392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.850392 (E_RNA) where: Base-Base interactions energy: -1080.077 where: short stacking energy: -469.131 Base-Backbone interact. energy: -0.475 local terms energy: -514.299041 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -91.974 flat angles C4'-P-C4' energy: -128.169 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -132.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1408.572293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.572293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.572293 (E_RNA) where: Base-Base interactions energy: -931.601 where: short stacking energy: -390.761 Base-Backbone interact. energy: 2.272 local terms energy: -479.242782 where: bonds (distance) C4'-P energy: -98.691 bonds (distance) P-C4' energy: -104.467 flat angles C4'-P-C4' energy: -97.187 flat angles P-C4'-P energy: -80.816 tors. eta vs tors. theta energy: -98.082 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1171.407998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.407998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.407998 (E_RNA) where: Base-Base interactions energy: -757.798 where: short stacking energy: -336.101 Base-Backbone interact. energy: -1.614 local terms energy: -411.995139 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -88.738 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -56.650 tors. eta vs tors. theta energy: -65.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1009.633889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.633889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.633889 (E_RNA) where: Base-Base interactions energy: -621.124 where: short stacking energy: -283.373 Base-Backbone interact. energy: -0.473 local terms energy: -388.037178 where: bonds (distance) C4'-P energy: -88.949 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -89.239 flat angles P-C4'-P energy: -70.792 tors. eta vs tors. theta energy: -41.043 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: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -2277.169755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.169755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.169755 (E_RNA) where: Base-Base interactions energy: -1595.756 where: short stacking energy: -631.623 Base-Backbone interact. energy: 0.661 local terms energy: -682.074936 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -114.936 flat angles C4'-P-C4' energy: -144.750 flat angles P-C4'-P energy: -104.375 tors. eta vs tors. theta energy: -189.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2262.171766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.171766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.171766 (E_RNA) where: Base-Base interactions energy: -1580.403 where: short stacking energy: -647.355 Base-Backbone interact. energy: -3.343 local terms energy: -678.425480 where: bonds (distance) C4'-P energy: -119.118 bonds (distance) P-C4' energy: -121.183 flat angles C4'-P-C4' energy: -147.832 flat angles P-C4'-P energy: -94.041 tors. eta vs tors. theta energy: -196.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2160.112062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.112062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.112062 (E_RNA) where: Base-Base interactions energy: -1481.184 where: short stacking energy: -617.967 Base-Backbone interact. energy: -1.287 local terms energy: -677.640311 where: bonds (distance) C4'-P energy: -121.922 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -144.882 flat angles P-C4'-P energy: -91.069 tors. eta vs tors. theta energy: -187.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2130.429758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.429758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.429758 (E_RNA) where: Base-Base interactions energy: -1503.864 where: short stacking energy: -589.646 Base-Backbone interact. energy: -1.501 local terms energy: -625.064764 where: bonds (distance) C4'-P energy: -112.343 bonds (distance) P-C4' energy: -123.806 flat angles C4'-P-C4' energy: -119.774 flat angles P-C4'-P energy: -89.938 tors. eta vs tors. theta energy: -179.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1851.186101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.186101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.186101 (E_RNA) where: Base-Base interactions energy: -1287.257 where: short stacking energy: -500.673 Base-Backbone interact. energy: -0.652 local terms energy: -563.277357 where: bonds (distance) C4'-P energy: -102.636 bonds (distance) P-C4' energy: -112.432 flat angles C4'-P-C4' energy: -121.307 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -135.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1645.356020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.356020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.356020 (E_RNA) where: Base-Base interactions energy: -1075.296 where: short stacking energy: -486.062 Base-Backbone interact. energy: -0.264 local terms energy: -569.795963 where: bonds (distance) C4'-P energy: -102.818 bonds (distance) P-C4' energy: -126.901 flat angles C4'-P-C4' energy: -125.007 flat angles P-C4'-P energy: -81.974 tors. eta vs tors. theta energy: -133.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1583.374789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.374789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.374789 (E_RNA) where: Base-Base interactions energy: -1042.992 where: short stacking energy: -431.192 Base-Backbone interact. energy: -1.337 local terms energy: -539.045801 where: bonds (distance) C4'-P energy: -100.712 bonds (distance) P-C4' energy: -103.367 flat angles C4'-P-C4' energy: -125.411 flat angles P-C4'-P energy: -96.550 tors. eta vs tors. theta energy: -113.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1490.226271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.226271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.226271 (E_RNA) where: Base-Base interactions energy: -983.595 where: short stacking energy: -427.239 Base-Backbone interact. energy: 0.991 local terms energy: -507.622059 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -113.238 flat angles P-C4'-P energy: -79.508 tors. eta vs tors. theta energy: -103.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1178.068881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.068881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.068881 (E_RNA) where: Base-Base interactions energy: -749.916 where: short stacking energy: -329.963 Base-Backbone interact. energy: -1.221 local terms energy: -426.931550 where: bonds (distance) C4'-P energy: -102.252 bonds (distance) P-C4' energy: -113.942 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -44.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -999.990711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.990711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.990711 (E_RNA) where: Base-Base interactions energy: -613.622 where: short stacking energy: -268.531 Base-Backbone interact. energy: -2.000 local terms energy: -384.368226 where: bonds (distance) C4'-P energy: -102.277 bonds (distance) P-C4' energy: -110.987 flat angles C4'-P-C4' energy: -79.444 flat angles P-C4'-P energy: -56.732 tors. eta vs tors. theta energy: -34.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -2263.862651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.862651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.862651 (E_RNA) where: Base-Base interactions energy: -1588.155 where: short stacking energy: -622.593 Base-Backbone interact. energy: -2.582 local terms energy: -673.126188 where: bonds (distance) C4'-P energy: -112.669 bonds (distance) P-C4' energy: -136.973 flat angles C4'-P-C4' energy: -139.030 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -183.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -2262.731065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.731065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.731065 (E_RNA) where: Base-Base interactions energy: -1600.519 where: short stacking energy: -618.359 Base-Backbone interact. energy: -0.511 local terms energy: -661.701168 where: bonds (distance) C4'-P energy: -117.244 bonds (distance) P-C4' energy: -120.553 flat angles C4'-P-C4' energy: -142.563 flat angles P-C4'-P energy: -99.046 tors. eta vs tors. theta energy: -182.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2131.168086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.168086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.168086 (E_RNA) where: Base-Base interactions energy: -1471.536 where: short stacking energy: -598.313 Base-Backbone interact. energy: -1.562 local terms energy: -658.070591 where: bonds (distance) C4'-P energy: -117.068 bonds (distance) P-C4' energy: -119.248 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -96.374 tors. eta vs tors. theta energy: -184.944 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: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2117.981482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.981482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.981482 (E_RNA) where: Base-Base interactions energy: -1482.518 where: short stacking energy: -585.236 Base-Backbone interact. energy: 1.687 local terms energy: -637.150146 where: bonds (distance) C4'-P energy: -108.279 bonds (distance) P-C4' energy: -100.259 flat angles C4'-P-C4' energy: -145.336 flat angles P-C4'-P energy: -91.093 tors. eta vs tors. theta energy: -192.183 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: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1919.746149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.746149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.746149 (E_RNA) where: Base-Base interactions energy: -1350.802 where: short stacking energy: -533.514 Base-Backbone interact. energy: 0.818 local terms energy: -569.762198 where: bonds (distance) C4'-P energy: -91.391 bonds (distance) P-C4' energy: -114.450 flat angles C4'-P-C4' energy: -136.145 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -151.109 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: 291 Temperature: 1.150000 Total energy: -1625.583600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.583600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.583600 (E_RNA) where: Base-Base interactions energy: -1072.488 where: short stacking energy: -460.401 Base-Backbone interact. energy: -1.214 local terms energy: -551.882275 where: bonds (distance) C4'-P energy: -102.337 bonds (distance) P-C4' energy: -118.861 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -70.170 tors. eta vs tors. theta energy: -134.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1617.977560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.977560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.977560 (E_RNA) where: Base-Base interactions energy: -1080.064 where: short stacking energy: -467.148 Base-Backbone interact. energy: -2.301 local terms energy: -535.612421 where: bonds (distance) C4'-P energy: -100.259 bonds (distance) P-C4' energy: -102.072 flat angles C4'-P-C4' energy: -116.370 flat angles P-C4'-P energy: -86.804 tors. eta vs tors. theta energy: -130.108 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: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1457.454428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.454428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.454428 (E_RNA) where: Base-Base interactions energy: -1004.254 where: short stacking energy: -435.280 Base-Backbone interact. energy: -1.148 local terms energy: -452.052172 where: bonds (distance) C4'-P energy: -80.674 bonds (distance) P-C4' energy: -107.650 flat angles C4'-P-C4' energy: -93.601 flat angles P-C4'-P energy: -69.896 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: 9, replica: 7 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1223.854703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.854703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.854703 (E_RNA) where: Base-Base interactions energy: -757.898 where: short stacking energy: -338.280 Base-Backbone interact. energy: 0.465 local terms energy: -466.422080 where: bonds (distance) C4'-P energy: -97.024 bonds (distance) P-C4' energy: -109.968 flat angles C4'-P-C4' energy: -116.037 flat angles P-C4'-P energy: -69.330 tors. eta vs tors. theta energy: -74.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1007.090437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.090437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.090437 (E_RNA) where: Base-Base interactions energy: -629.765 where: short stacking energy: -311.720 Base-Backbone interact. energy: -0.490 local terms energy: -376.835133 where: bonds (distance) C4'-P energy: -84.497 bonds (distance) P-C4' energy: -103.777 flat angles C4'-P-C4' energy: -65.911 flat angles P-C4'-P energy: -58.483 tors. eta vs tors. theta energy: -64.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -2302.207261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.207261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.207261 (E_RNA) where: Base-Base interactions energy: -1621.288 where: short stacking energy: -654.489 Base-Backbone interact. energy: 1.037 local terms energy: -681.956942 where: bonds (distance) C4'-P energy: -125.461 bonds (distance) P-C4' energy: -124.739 flat angles C4'-P-C4' energy: -144.611 flat angles P-C4'-P energy: -88.395 tors. eta vs tors. theta energy: -198.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2249.284511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.284511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.284511 (E_RNA) where: Base-Base interactions energy: -1577.449 where: short stacking energy: -641.669 Base-Backbone interact. energy: -1.840 local terms energy: -669.995518 where: bonds (distance) C4'-P energy: -129.853 bonds (distance) P-C4' energy: -106.667 flat angles C4'-P-C4' energy: -139.996 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -197.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2182.984017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.984017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.984017 (E_RNA) where: Base-Base interactions energy: -1530.831 where: short stacking energy: -617.553 Base-Backbone interact. energy: -2.836 local terms energy: -649.317460 where: bonds (distance) C4'-P energy: -118.362 bonds (distance) P-C4' energy: -120.014 flat angles C4'-P-C4' energy: -135.943 flat angles P-C4'-P energy: -92.276 tors. eta vs tors. theta energy: -182.723 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2136.900188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.900188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.900188 (E_RNA) where: Base-Base interactions energy: -1493.832 where: short stacking energy: -601.066 Base-Backbone interact. energy: -1.266 local terms energy: -641.802046 where: bonds (distance) C4'-P energy: -103.790 bonds (distance) P-C4' energy: -116.905 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -199.121 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: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1912.891437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.891437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.891437 (E_RNA) where: Base-Base interactions energy: -1314.402 where: short stacking energy: -521.546 Base-Backbone interact. energy: -3.533 local terms energy: -594.956696 where: bonds (distance) C4'-P energy: -124.470 bonds (distance) P-C4' energy: -108.651 flat angles C4'-P-C4' energy: -125.033 flat angles P-C4'-P energy: -87.278 tors. eta vs tors. theta energy: -149.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1663.608710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.608710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.608710 (E_RNA) where: Base-Base interactions energy: -1096.166 where: short stacking energy: -472.757 Base-Backbone interact. energy: 0.394 local terms energy: -567.837458 where: bonds (distance) C4'-P energy: -108.503 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -127.205 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -127.348 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: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1580.657621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.657621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.657621 (E_RNA) where: Base-Base interactions energy: -1078.185 where: short stacking energy: -467.312 Base-Backbone interact. energy: 5.482 local terms energy: -507.954789 where: bonds (distance) C4'-P energy: -106.006 bonds (distance) P-C4' energy: -101.816 flat angles C4'-P-C4' energy: -103.112 flat angles P-C4'-P energy: -70.942 tors. eta vs tors. theta energy: -126.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1509.344392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.344392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.344392 (E_RNA) where: Base-Base interactions energy: -991.472 where: short stacking energy: -422.258 Base-Backbone interact. energy: -1.166 local terms energy: -516.706618 where: bonds (distance) C4'-P energy: -98.100 bonds (distance) P-C4' energy: -109.047 flat angles C4'-P-C4' energy: -111.887 flat angles P-C4'-P energy: -83.562 tors. eta vs tors. theta energy: -114.110 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: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1156.293378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.293378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.293378 (E_RNA) where: Base-Base interactions energy: -743.853 where: short stacking energy: -296.773 Base-Backbone interact. energy: -1.470 local terms energy: -410.970231 where: bonds (distance) C4'-P energy: -103.641 bonds (distance) P-C4' energy: -110.181 flat angles C4'-P-C4' energy: -74.764 flat angles P-C4'-P energy: -57.760 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: 3 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1005.553030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.553030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.553030 (E_RNA) where: Base-Base interactions energy: -605.651 where: short stacking energy: -287.284 Base-Backbone interact. energy: 0.606 local terms energy: -400.508923 where: bonds (distance) C4'-P energy: -101.086 bonds (distance) P-C4' energy: -105.880 flat angles C4'-P-C4' energy: -97.427 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -47.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2278.231521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.231521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.231521 (E_RNA) where: Base-Base interactions energy: -1582.956 where: short stacking energy: -638.206 Base-Backbone interact. energy: 0.199 local terms energy: -695.474279 where: bonds (distance) C4'-P energy: -122.489 bonds (distance) P-C4' energy: -134.558 flat angles C4'-P-C4' energy: -137.419 flat angles P-C4'-P energy: -103.635 tors. eta vs tors. theta energy: -197.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -2251.725640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.725640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.725640 (E_RNA) where: Base-Base interactions energy: -1598.460 where: short stacking energy: -634.049 Base-Backbone interact. energy: -0.140 local terms energy: -653.125610 where: bonds (distance) C4'-P energy: -116.302 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -140.437 flat angles P-C4'-P energy: -96.502 tors. eta vs tors. theta energy: -189.531 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2178.995163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.995163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.995163 (E_RNA) where: Base-Base interactions energy: -1522.944 where: short stacking energy: -620.306 Base-Backbone interact. energy: -1.884 local terms energy: -654.166882 where: bonds (distance) C4'-P energy: -111.991 bonds (distance) P-C4' energy: -110.266 flat angles C4'-P-C4' energy: -137.508 flat angles P-C4'-P energy: -104.307 tors. eta vs tors. theta energy: -190.095 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: 9 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2107.711570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.711570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.711570 (E_RNA) where: Base-Base interactions energy: -1467.952 where: short stacking energy: -611.917 Base-Backbone interact. energy: 0.092 local terms energy: -639.851227 where: bonds (distance) C4'-P energy: -118.801 bonds (distance) P-C4' energy: -114.994 flat angles C4'-P-C4' energy: -131.132 flat angles P-C4'-P energy: -81.358 tors. eta vs tors. theta energy: -193.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1911.504828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.504828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.504828 (E_RNA) where: Base-Base interactions energy: -1310.704 where: short stacking energy: -523.193 Base-Backbone interact. energy: -3.042 local terms energy: -597.759760 where: bonds (distance) C4'-P energy: -109.452 bonds (distance) P-C4' energy: -119.483 flat angles C4'-P-C4' energy: -130.134 flat angles P-C4'-P energy: -75.815 tors. eta vs tors. theta energy: -162.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1652.476074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.476074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.476074 (E_RNA) where: Base-Base interactions energy: -1110.729 where: short stacking energy: -477.621 Base-Backbone interact. energy: 0.630 local terms energy: -542.377168 where: bonds (distance) C4'-P energy: -105.354 bonds (distance) P-C4' energy: -110.852 flat angles C4'-P-C4' energy: -110.009 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -137.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1624.299938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.299938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.299938 (E_RNA) where: Base-Base interactions energy: -1087.317 where: short stacking energy: -461.279 Base-Backbone interact. energy: 1.469 local terms energy: -538.451387 where: bonds (distance) C4'-P energy: -103.323 bonds (distance) P-C4' energy: -110.478 flat angles C4'-P-C4' energy: -118.914 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -126.634 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: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1523.063215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.063215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.063215 (E_RNA) where: Base-Base interactions energy: -1007.983 where: short stacking energy: -424.609 Base-Backbone interact. energy: 2.799 local terms energy: -517.879078 where: bonds (distance) C4'-P energy: -113.645 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -105.840 flat angles P-C4'-P energy: -83.313 tors. eta vs tors. theta energy: -116.875 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: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1180.206763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.206763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.206763 (E_RNA) where: Base-Base interactions energy: -723.999 where: short stacking energy: -327.444 Base-Backbone interact. energy: -1.429 local terms energy: -454.778259 where: bonds (distance) C4'-P energy: -102.189 bonds (distance) P-C4' energy: -88.005 flat angles C4'-P-C4' energy: -105.149 flat angles P-C4'-P energy: -88.415 tors. eta vs tors. theta energy: -71.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1002.279310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.279310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.279310 (E_RNA) where: Base-Base interactions energy: -612.188 where: short stacking energy: -288.287 Base-Backbone interact. energy: 0.865 local terms energy: -390.955975 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -90.175 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: -37.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -2295.963856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.963856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.963856 (E_RNA) where: Base-Base interactions energy: -1623.316 where: short stacking energy: -676.256 Base-Backbone interact. energy: -1.096 local terms energy: -671.551778 where: bonds (distance) C4'-P energy: -110.171 bonds (distance) P-C4' energy: -114.722 flat angles C4'-P-C4' energy: -138.564 flat angles P-C4'-P energy: -109.543 tors. eta vs tors. theta energy: -198.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2262.300787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.300787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.300787 (E_RNA) where: Base-Base interactions energy: -1589.301 where: short stacking energy: -637.583 Base-Backbone interact. energy: -0.906 local terms energy: -672.094369 where: bonds (distance) C4'-P energy: -113.933 bonds (distance) P-C4' energy: -118.703 flat angles C4'-P-C4' energy: -147.565 flat angles P-C4'-P energy: -94.642 tors. eta vs tors. theta energy: -197.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2171.491888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.491888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.491888 (E_RNA) where: Base-Base interactions energy: -1494.450 where: short stacking energy: -597.185 Base-Backbone interact. energy: 1.507 local terms energy: -678.549766 where: bonds (distance) C4'-P energy: -125.992 bonds (distance) P-C4' energy: -127.457 flat angles C4'-P-C4' energy: -136.749 flat angles P-C4'-P energy: -102.326 tors. eta vs tors. theta energy: -186.026 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: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2104.419733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.419733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.419733 (E_RNA) where: Base-Base interactions energy: -1442.504 where: short stacking energy: -590.323 Base-Backbone interact. energy: -2.100 local terms energy: -659.815157 where: bonds (distance) C4'-P energy: -111.594 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -138.066 flat angles P-C4'-P energy: -84.336 tors. eta vs tors. theta energy: -194.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1946.910786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.910786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.910786 (E_RNA) where: Base-Base interactions energy: -1347.460 where: short stacking energy: -546.691 Base-Backbone interact. energy: 1.100 local terms energy: -600.550448 where: bonds (distance) C4'-P energy: -130.009 bonds (distance) P-C4' energy: -115.965 flat angles C4'-P-C4' energy: -119.333 flat angles P-C4'-P energy: -73.317 tors. eta vs tors. theta energy: -161.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1641.101334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.101334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.101334 (E_RNA) where: Base-Base interactions energy: -1072.675 where: short stacking energy: -454.328 Base-Backbone interact. energy: -1.978 local terms energy: -566.449015 where: bonds (distance) C4'-P energy: -116.278 bonds (distance) P-C4' energy: -120.411 flat angles C4'-P-C4' energy: -121.445 flat angles P-C4'-P energy: -80.562 tors. eta vs tors. theta energy: -127.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1581.851274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.851274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.851274 (E_RNA) where: Base-Base interactions energy: -1066.808 where: short stacking energy: -456.152 Base-Backbone interact. energy: -1.136 local terms energy: -513.907153 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -104.321 flat angles C4'-P-C4' energy: -119.917 flat angles P-C4'-P energy: -77.902 tors. eta vs tors. theta energy: -125.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1528.046673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.046673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.046673 (E_RNA) where: Base-Base interactions energy: -1014.134 where: short stacking energy: -430.424 Base-Backbone interact. energy: -1.446 local terms energy: -512.466795 where: bonds (distance) C4'-P energy: -89.456 bonds (distance) P-C4' energy: -109.875 flat angles C4'-P-C4' energy: -124.082 flat angles P-C4'-P energy: -78.243 tors. eta vs tors. theta energy: -110.811 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: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1193.646807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.646807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.646807 (E_RNA) where: Base-Base interactions energy: -743.246 where: short stacking energy: -349.139 Base-Backbone interact. energy: 0.725 local terms energy: -451.125471 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -114.684 flat angles C4'-P-C4' energy: -106.398 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: -82.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1002.581149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.581149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.581149 (E_RNA) where: Base-Base interactions energy: -633.861 where: short stacking energy: -283.319 Base-Backbone interact. energy: 1.222 local terms energy: -369.942774 where: bonds (distance) C4'-P energy: -110.880 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -79.923 flat angles P-C4'-P energy: -46.007 tors. eta vs tors. theta energy: -38.342 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: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2285.052288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.052288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.052288 (E_RNA) where: Base-Base interactions energy: -1586.082 where: short stacking energy: -659.998 Base-Backbone interact. energy: -2.849 local terms energy: -696.120804 where: bonds (distance) C4'-P energy: -118.626 bonds (distance) P-C4' energy: -129.275 flat angles C4'-P-C4' energy: -144.275 flat angles P-C4'-P energy: -106.096 tors. eta vs tors. theta energy: -197.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2247.980408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.980408 (E_RNA) where: Base-Base interactions energy: -1577.975 where: short stacking energy: -631.578 Base-Backbone interact. energy: -4.323 local terms energy: -665.681959 where: bonds (distance) C4'-P energy: -122.772 bonds (distance) P-C4' energy: -119.600 flat angles C4'-P-C4' energy: -143.404 flat angles P-C4'-P energy: -95.556 tors. eta vs tors. theta energy: -184.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2160.896638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.896638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.896638 (E_RNA) where: Base-Base interactions energy: -1515.995 where: short stacking energy: -605.722 Base-Backbone interact. energy: -0.361 local terms energy: -644.540366 where: bonds (distance) C4'-P energy: -121.492 bonds (distance) P-C4' energy: -127.277 flat angles C4'-P-C4' energy: -132.824 flat angles P-C4'-P energy: -88.448 tors. eta vs tors. theta energy: -174.499 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2104.773271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.773271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.773271 (E_RNA) where: Base-Base interactions energy: -1459.690 where: short stacking energy: -620.382 Base-Backbone interact. energy: -0.278 local terms energy: -644.804730 where: bonds (distance) C4'-P energy: -101.944 bonds (distance) P-C4' energy: -117.189 flat angles C4'-P-C4' energy: -133.585 flat angles P-C4'-P energy: -93.290 tors. eta vs tors. theta energy: -198.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1889.545539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.545539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.545539 (E_RNA) where: Base-Base interactions energy: -1289.511 where: short stacking energy: -528.780 Base-Backbone interact. energy: 0.819 local terms energy: -600.853279 where: bonds (distance) C4'-P energy: -117.039 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -136.284 flat angles P-C4'-P energy: -88.442 tors. eta vs tors. theta energy: -149.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1639.460982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.460982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.460982 (E_RNA) where: Base-Base interactions energy: -1071.107 where: short stacking energy: -460.366 Base-Backbone interact. energy: 0.096 local terms energy: -568.449419 where: bonds (distance) C4'-P energy: -111.888 bonds (distance) P-C4' energy: -118.458 flat angles C4'-P-C4' energy: -129.452 flat angles P-C4'-P energy: -86.472 tors. eta vs tors. theta energy: -122.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1607.180558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.180558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.180558 (E_RNA) where: Base-Base interactions energy: -1060.790 where: short stacking energy: -459.065 Base-Backbone interact. energy: 0.113 local terms energy: -546.503954 where: bonds (distance) C4'-P energy: -99.874 bonds (distance) P-C4' energy: -114.592 flat angles C4'-P-C4' energy: -121.576 flat angles P-C4'-P energy: -83.110 tors. eta vs tors. theta energy: -127.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1504.848659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.848659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.848659 (E_RNA) where: Base-Base interactions energy: -1012.994 where: short stacking energy: -416.285 Base-Backbone interact. energy: 2.304 local terms energy: -494.159301 where: bonds (distance) C4'-P energy: -109.067 bonds (distance) P-C4' energy: -106.323 flat angles C4'-P-C4' energy: -119.662 flat angles P-C4'-P energy: -54.094 tors. eta vs tors. theta energy: -105.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1221.984591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.984591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.984591 (E_RNA) where: Base-Base interactions energy: -787.958 where: short stacking energy: -340.791 Base-Backbone interact. energy: 5.836 local terms energy: -439.863046 where: bonds (distance) C4'-P energy: -93.505 bonds (distance) P-C4' energy: -92.893 flat angles C4'-P-C4' energy: -101.180 flat angles P-C4'-P energy: -80.723 tors. eta vs tors. theta energy: -71.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1073.594085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.594085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.594085 (E_RNA) where: Base-Base interactions energy: -681.340 where: short stacking energy: -300.873 Base-Backbone interact. energy: 0.355 local terms energy: -392.608879 where: bonds (distance) C4'-P energy: -74.028 bonds (distance) P-C4' energy: -108.148 flat angles C4'-P-C4' energy: -98.526 flat angles P-C4'-P energy: -52.151 tors. eta vs tors. theta energy: -59.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -2302.668051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.668051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.668051 (E_RNA) where: Base-Base interactions energy: -1626.047 where: short stacking energy: -659.800 Base-Backbone interact. energy: -0.718 local terms energy: -675.903027 where: bonds (distance) C4'-P energy: -117.497 bonds (distance) P-C4' energy: -122.751 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -100.052 tors. eta vs tors. theta energy: -200.708 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: 10 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2223.607160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.607160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.607160 (E_RNA) where: Base-Base interactions energy: -1584.976 where: short stacking energy: -645.714 Base-Backbone interact. energy: -6.377 local terms energy: -632.254528 where: bonds (distance) C4'-P energy: -108.454 bonds (distance) P-C4' energy: -121.168 flat angles C4'-P-C4' energy: -135.105 flat angles P-C4'-P energy: -81.115 tors. eta vs tors. theta energy: -186.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2116.006169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.006169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.006169 (E_RNA) where: Base-Base interactions energy: -1492.608 where: short stacking energy: -619.614 Base-Backbone interact. energy: -0.357 local terms energy: -623.041368 where: bonds (distance) C4'-P energy: -94.877 bonds (distance) P-C4' energy: -108.568 flat angles C4'-P-C4' energy: -141.024 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -184.470 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: 296 Temperature: 1.050000 Total energy: -2099.948443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.948443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.948443 (E_RNA) where: Base-Base interactions energy: -1464.542 where: short stacking energy: -643.407 Base-Backbone interact. energy: -1.405 local terms energy: -634.001334 where: bonds (distance) C4'-P energy: -113.293 bonds (distance) P-C4' energy: -96.308 flat angles C4'-P-C4' energy: -131.524 flat angles P-C4'-P energy: -98.705 tors. eta vs tors. theta energy: -194.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1901.922660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.922660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.922660 (E_RNA) where: Base-Base interactions energy: -1337.882 where: short stacking energy: -535.443 Base-Backbone interact. energy: -1.336 local terms energy: -562.704388 where: bonds (distance) C4'-P energy: -95.940 bonds (distance) P-C4' energy: -123.596 flat angles C4'-P-C4' energy: -121.194 flat angles P-C4'-P energy: -75.286 tors. eta vs tors. theta energy: -146.688 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: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1631.558417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.558417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.558417 (E_RNA) where: Base-Base interactions energy: -1094.734 where: short stacking energy: -472.837 Base-Backbone interact. energy: -0.809 local terms energy: -536.015593 where: bonds (distance) C4'-P energy: -108.595 bonds (distance) P-C4' energy: -116.190 flat angles C4'-P-C4' energy: -111.746 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -120.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1520.768501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.768501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.768501 (E_RNA) where: Base-Base interactions energy: -1014.744 where: short stacking energy: -424.017 Base-Backbone interact. energy: -0.109 local terms energy: -505.915672 where: bonds (distance) C4'-P energy: -114.105 bonds (distance) P-C4' energy: -111.787 flat angles C4'-P-C4' energy: -95.819 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -114.310 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: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1517.428664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.428664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.428664 (E_RNA) where: Base-Base interactions energy: -1012.365 where: short stacking energy: -430.009 Base-Backbone interact. energy: -1.577 local terms energy: -503.486367 where: bonds (distance) C4'-P energy: -113.534 bonds (distance) P-C4' energy: -101.016 flat angles C4'-P-C4' energy: -114.890 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -105.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1280.570880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.570880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.570880 (E_RNA) where: Base-Base interactions energy: -829.540 where: short stacking energy: -352.947 Base-Backbone interact. energy: 2.772 local terms energy: -453.802787 where: bonds (distance) C4'-P energy: -90.417 bonds (distance) P-C4' energy: -97.134 flat angles C4'-P-C4' energy: -94.004 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -85.290 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: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1146.016326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.016326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.016326 (E_RNA) where: Base-Base interactions energy: -750.106 where: short stacking energy: -330.601 Base-Backbone interact. energy: 0.809 local terms energy: -396.718430 where: bonds (distance) C4'-P energy: -85.595 bonds (distance) P-C4' energy: -105.355 flat angles C4'-P-C4' energy: -95.009 flat angles P-C4'-P energy: -35.872 tors. eta vs tors. theta energy: -74.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2291.644009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.644009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.644009 (E_RNA) where: Base-Base interactions energy: -1608.696 where: short stacking energy: -647.087 Base-Backbone interact. energy: -4.585 local terms energy: -678.362744 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -126.298 flat angles C4'-P-C4' energy: -137.651 flat angles P-C4'-P energy: -105.703 tors. eta vs tors. theta energy: -183.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2232.031630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.031630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.031630 (E_RNA) where: Base-Base interactions energy: -1552.169 where: short stacking energy: -592.636 Base-Backbone interact. energy: -2.843 local terms energy: -677.020415 where: bonds (distance) C4'-P energy: -121.120 bonds (distance) P-C4' energy: -130.426 flat angles C4'-P-C4' energy: -134.226 flat angles P-C4'-P energy: -98.207 tors. eta vs tors. theta energy: -193.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2116.190163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.190163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.190163 (E_RNA) where: Base-Base interactions energy: -1481.492 where: short stacking energy: -601.919 Base-Backbone interact. energy: 4.573 local terms energy: -639.271483 where: bonds (distance) C4'-P energy: -106.213 bonds (distance) P-C4' energy: -119.709 flat angles C4'-P-C4' energy: -136.789 flat angles P-C4'-P energy: -93.592 tors. eta vs tors. theta energy: -182.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2113.391534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.391534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.391534 (E_RNA) where: Base-Base interactions energy: -1464.549 where: short stacking energy: -613.685 Base-Backbone interact. energy: -1.054 local terms energy: -647.788322 where: bonds (distance) C4'-P energy: -106.654 bonds (distance) P-C4' energy: -111.750 flat angles C4'-P-C4' energy: -140.085 flat angles P-C4'-P energy: -95.101 tors. eta vs tors. theta energy: -194.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1885.141445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.141445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.141445 (E_RNA) where: Base-Base interactions energy: -1305.473 where: short stacking energy: -532.530 Base-Backbone interact. energy: -0.888 local terms energy: -578.779926 where: bonds (distance) C4'-P energy: -107.689 bonds (distance) P-C4' energy: -102.628 flat angles C4'-P-C4' energy: -128.992 flat angles P-C4'-P energy: -90.355 tors. eta vs tors. theta energy: -149.116 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: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1644.355283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.355283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.355283 (E_RNA) where: Base-Base interactions energy: -1119.299 where: short stacking energy: -476.807 Base-Backbone interact. energy: -1.376 local terms energy: -523.680180 where: bonds (distance) C4'-P energy: -110.283 bonds (distance) P-C4' energy: -96.424 flat angles C4'-P-C4' energy: -115.987 flat angles P-C4'-P energy: -76.592 tors. eta vs tors. theta energy: -124.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1535.410812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.410812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.410812 (E_RNA) where: Base-Base interactions energy: -1000.137 where: short stacking energy: -423.538 Base-Backbone interact. energy: -0.994 local terms energy: -534.279472 where: bonds (distance) C4'-P energy: -96.068 bonds (distance) P-C4' energy: -130.211 flat angles C4'-P-C4' energy: -122.393 flat angles P-C4'-P energy: -89.868 tors. eta vs tors. theta energy: -95.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1501.581615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.581615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.581615 (E_RNA) where: Base-Base interactions energy: -1002.719 where: short stacking energy: -424.527 Base-Backbone interact. energy: 0.656 local terms energy: -499.518863 where: bonds (distance) C4'-P energy: -99.591 bonds (distance) P-C4' energy: -94.824 flat angles C4'-P-C4' energy: -121.258 flat angles P-C4'-P energy: -76.371 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1208.861027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.861027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.861027 (E_RNA) where: Base-Base interactions energy: -788.790 where: short stacking energy: -352.276 Base-Backbone interact. energy: 0.941 local terms energy: -421.011777 where: bonds (distance) C4'-P energy: -81.450 bonds (distance) P-C4' energy: -95.375 flat angles C4'-P-C4' energy: -95.415 flat angles P-C4'-P energy: -67.375 tors. eta vs tors. theta energy: -81.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1077.083209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.083209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.083209 (E_RNA) where: Base-Base interactions energy: -684.136 where: short stacking energy: -306.332 Base-Backbone interact. energy: 6.931 local terms energy: -399.878384 where: bonds (distance) C4'-P energy: -94.380 bonds (distance) P-C4' energy: -109.226 flat angles C4'-P-C4' energy: -85.236 flat angles P-C4'-P energy: -60.765 tors. eta vs tors. theta energy: -50.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -2299.983017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.983017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.983017 (E_RNA) where: Base-Base interactions energy: -1634.009 where: short stacking energy: -654.547 Base-Backbone interact. energy: -1.605 local terms energy: -664.369174 where: bonds (distance) C4'-P energy: -113.087 bonds (distance) P-C4' energy: -121.384 flat angles C4'-P-C4' energy: -143.482 flat angles P-C4'-P energy: -95.335 tors. eta vs tors. theta energy: -191.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2202.413047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.413047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.413047 (E_RNA) where: Base-Base interactions energy: -1519.349 where: short stacking energy: -627.243 Base-Backbone interact. energy: -2.902 local terms energy: -680.162130 where: bonds (distance) C4'-P energy: -120.861 bonds (distance) P-C4' energy: -129.723 flat angles C4'-P-C4' energy: -144.322 flat angles P-C4'-P energy: -104.237 tors. eta vs tors. theta energy: -181.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2139.957120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.957120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.957120 (E_RNA) where: Base-Base interactions energy: -1494.499 where: short stacking energy: -612.466 Base-Backbone interact. energy: -2.223 local terms energy: -643.235278 where: bonds (distance) C4'-P energy: -112.536 bonds (distance) P-C4' energy: -124.339 flat angles C4'-P-C4' energy: -136.460 flat angles P-C4'-P energy: -92.008 tors. eta vs tors. theta energy: -177.892 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: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2109.336082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.336082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.336082 (E_RNA) where: Base-Base interactions energy: -1462.567 where: short stacking energy: -603.544 Base-Backbone interact. energy: 2.380 local terms energy: -649.148287 where: bonds (distance) C4'-P energy: -112.532 bonds (distance) P-C4' energy: -112.671 flat angles C4'-P-C4' energy: -132.270 flat angles P-C4'-P energy: -95.583 tors. eta vs tors. theta energy: -196.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1927.363720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.363720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.363720 (E_RNA) where: Base-Base interactions energy: -1334.637 where: short stacking energy: -544.783 Base-Backbone interact. energy: 2.892 local terms energy: -595.618857 where: bonds (distance) C4'-P energy: -117.367 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -114.615 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -165.705 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: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1672.028895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.028895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.028895 (E_RNA) where: Base-Base interactions energy: -1118.911 where: short stacking energy: -462.599 Base-Backbone interact. energy: -0.972 local terms energy: -552.145489 where: bonds (distance) C4'-P energy: -117.012 bonds (distance) P-C4' energy: -104.772 flat angles C4'-P-C4' energy: -122.102 flat angles P-C4'-P energy: -83.377 tors. eta vs tors. theta energy: -124.883 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: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1545.578405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.578405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.578405 (E_RNA) where: Base-Base interactions energy: -1026.890 where: short stacking energy: -448.769 Base-Backbone interact. energy: -1.702 local terms energy: -516.986296 where: bonds (distance) C4'-P energy: -112.857 bonds (distance) P-C4' energy: -110.468 flat angles C4'-P-C4' energy: -109.334 flat angles P-C4'-P energy: -76.734 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: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1492.145693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.145693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.145693 (E_RNA) where: Base-Base interactions energy: -1008.995 where: short stacking energy: -436.187 Base-Backbone interact. energy: -0.466 local terms energy: -482.684755 where: bonds (distance) C4'-P energy: -100.306 bonds (distance) P-C4' energy: -102.391 flat angles C4'-P-C4' energy: -113.191 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -102.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1194.293166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.293166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.293166 (E_RNA) where: Base-Base interactions energy: -750.613 where: short stacking energy: -335.654 Base-Backbone interact. energy: -0.981 local terms energy: -442.698521 where: bonds (distance) C4'-P energy: -104.762 bonds (distance) P-C4' energy: -102.941 flat angles C4'-P-C4' energy: -101.827 flat angles P-C4'-P energy: -62.454 tors. eta vs tors. theta energy: -70.714 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: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1100.622217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.622217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.622217 (E_RNA) where: Base-Base interactions energy: -675.028 where: short stacking energy: -293.146 Base-Backbone interact. energy: 6.067 local terms energy: -431.660939 where: bonds (distance) C4'-P energy: -94.681 bonds (distance) P-C4' energy: -116.114 flat angles C4'-P-C4' energy: -102.277 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -63.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -2292.061211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.061211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.061211 (E_RNA) where: Base-Base interactions energy: -1624.606 where: short stacking energy: -636.818 Base-Backbone interact. energy: -1.079 local terms energy: -666.376364 where: bonds (distance) C4'-P energy: -104.917 bonds (distance) P-C4' energy: -125.749 flat angles C4'-P-C4' energy: -138.533 flat angles P-C4'-P energy: -98.765 tors. eta vs tors. theta energy: -198.413 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: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2206.863130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.863130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.863130 (E_RNA) where: Base-Base interactions energy: -1545.518 where: short stacking energy: -620.960 Base-Backbone interact. energy: 0.161 local terms energy: -661.505418 where: bonds (distance) C4'-P energy: -113.954 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -145.190 flat angles P-C4'-P energy: -89.211 tors. eta vs tors. theta energy: -187.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2155.745532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.745532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.745532 (E_RNA) where: Base-Base interactions energy: -1488.754 where: short stacking energy: -634.519 Base-Backbone interact. energy: -2.037 local terms energy: -664.954791 where: bonds (distance) C4'-P energy: -108.557 bonds (distance) P-C4' energy: -121.750 flat angles C4'-P-C4' energy: -146.202 flat angles P-C4'-P energy: -105.102 tors. eta vs tors. theta energy: -183.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2057.777196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.777196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.777196 (E_RNA) where: Base-Base interactions energy: -1418.002 where: short stacking energy: -604.083 Base-Backbone interact. energy: -2.038 local terms energy: -637.737147 where: bonds (distance) C4'-P energy: -119.420 bonds (distance) P-C4' energy: -104.617 flat angles C4'-P-C4' energy: -133.782 flat angles P-C4'-P energy: -98.665 tors. eta vs tors. theta energy: -181.253 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: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1936.765571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.765571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.765571 (E_RNA) where: Base-Base interactions energy: -1333.966 where: short stacking energy: -552.206 Base-Backbone interact. energy: 0.024 local terms energy: -602.824389 where: bonds (distance) C4'-P energy: -114.493 bonds (distance) P-C4' energy: -121.662 flat angles C4'-P-C4' energy: -125.892 flat angles P-C4'-P energy: -84.056 tors. eta vs tors. theta energy: -156.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1601.461965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.461965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.461965 (E_RNA) where: Base-Base interactions energy: -1051.387 where: short stacking energy: -471.682 Base-Backbone interact. energy: -0.885 local terms energy: -549.190383 where: bonds (distance) C4'-P energy: -120.140 bonds (distance) P-C4' energy: -115.030 flat angles C4'-P-C4' energy: -107.615 flat angles P-C4'-P energy: -78.655 tors. eta vs tors. theta energy: -127.749 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: 299 Temperature: 1.200000 Total energy: -1551.857414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.857414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.857414 (E_RNA) where: Base-Base interactions energy: -1030.102 where: short stacking energy: -442.327 Base-Backbone interact. energy: 1.350 local terms energy: -523.105593 where: bonds (distance) C4'-P energy: -110.562 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -119.420 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -125.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1546.105183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.105183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.105183 (E_RNA) where: Base-Base interactions energy: -1033.728 where: short stacking energy: -440.003 Base-Backbone interact. energy: 0.062 local terms energy: -512.439175 where: bonds (distance) C4'-P energy: -101.902 bonds (distance) P-C4' energy: -112.279 flat angles C4'-P-C4' energy: -96.438 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -119.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1184.486886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.486886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.486886 (E_RNA) where: Base-Base interactions energy: -751.942 where: short stacking energy: -320.832 Base-Backbone interact. energy: -3.851 local terms energy: -428.693719 where: bonds (distance) C4'-P energy: -99.106 bonds (distance) P-C4' energy: -89.429 flat angles C4'-P-C4' energy: -114.160 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -60.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1059.958109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.958109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.958109 (E_RNA) where: Base-Base interactions energy: -679.198 where: short stacking energy: -291.424 Base-Backbone interact. energy: -1.305 local terms energy: -379.455567 where: bonds (distance) C4'-P energy: -78.321 bonds (distance) P-C4' energy: -100.643 flat angles C4'-P-C4' energy: -97.200 flat angles P-C4'-P energy: -60.585 tors. eta vs tors. theta energy: -42.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2317.746479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.746479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.746479 (E_RNA) where: Base-Base interactions energy: -1632.264 where: short stacking energy: -660.383 Base-Backbone interact. energy: -1.858 local terms energy: -683.623936 where: bonds (distance) C4'-P energy: -123.690 bonds (distance) P-C4' energy: -125.429 flat angles C4'-P-C4' energy: -136.942 flat angles P-C4'-P energy: -95.853 tors. eta vs tors. theta energy: -201.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2192.101259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.101259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.101259 (E_RNA) where: Base-Base interactions energy: -1561.444 where: short stacking energy: -621.061 Base-Backbone interact. energy: 0.635 local terms energy: -631.292912 where: bonds (distance) C4'-P energy: -105.398 bonds (distance) P-C4' energy: -105.413 flat angles C4'-P-C4' energy: -132.155 flat angles P-C4'-P energy: -96.541 tors. eta vs tors. theta energy: -191.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2107.872245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.872245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.872245 (E_RNA) where: Base-Base interactions energy: -1464.937 where: short stacking energy: -608.476 Base-Backbone interact. energy: -0.501 local terms energy: -642.434223 where: bonds (distance) C4'-P energy: -110.648 bonds (distance) P-C4' energy: -124.822 flat angles C4'-P-C4' energy: -132.623 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -181.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2112.463152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.463152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.463152 (E_RNA) where: Base-Base interactions energy: -1469.012 where: short stacking energy: -599.251 Base-Backbone interact. energy: -2.001 local terms energy: -641.450583 where: bonds (distance) C4'-P energy: -123.649 bonds (distance) P-C4' energy: -118.683 flat angles C4'-P-C4' energy: -142.237 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -176.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1910.348956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.348956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.348956 (E_RNA) where: Base-Base interactions energy: -1327.693 where: short stacking energy: -523.034 Base-Backbone interact. energy: -2.469 local terms energy: -580.187470 where: bonds (distance) C4'-P energy: -107.825 bonds (distance) P-C4' energy: -102.408 flat angles C4'-P-C4' energy: -129.832 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -154.908 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: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1582.564719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.564719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.564719 (E_RNA) where: Base-Base interactions energy: -1049.800 where: short stacking energy: -456.182 Base-Backbone interact. energy: 1.501 local terms energy: -534.265874 where: bonds (distance) C4'-P energy: -108.209 bonds (distance) P-C4' energy: -110.663 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -71.430 tors. eta vs tors. theta energy: -118.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1630.461427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.461427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.461427 (E_RNA) where: Base-Base interactions energy: -1095.854 where: short stacking energy: -456.323 Base-Backbone interact. energy: 0.023 local terms energy: -534.630767 where: bonds (distance) C4'-P energy: -119.073 bonds (distance) P-C4' energy: -107.980 flat angles C4'-P-C4' energy: -118.941 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -110.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1487.113987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.113987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.113987 (E_RNA) where: Base-Base interactions energy: -1018.190 where: short stacking energy: -421.633 Base-Backbone interact. energy: -2.691 local terms energy: -466.232089 where: bonds (distance) C4'-P energy: -94.765 bonds (distance) P-C4' energy: -89.048 flat angles C4'-P-C4' energy: -107.322 flat angles P-C4'-P energy: -64.058 tors. eta vs tors. theta energy: -111.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1185.665029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.665029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.665029 (E_RNA) where: Base-Base interactions energy: -777.618 where: short stacking energy: -349.354 Base-Backbone interact. energy: -2.255 local terms energy: -405.791301 where: bonds (distance) C4'-P energy: -72.938 bonds (distance) P-C4' energy: -106.418 flat angles C4'-P-C4' energy: -89.093 flat angles P-C4'-P energy: -69.248 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: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1076.596978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.596978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.596978 (E_RNA) where: Base-Base interactions energy: -703.727 where: short stacking energy: -309.834 Base-Backbone interact. energy: 1.153 local terms energy: -374.022675 where: bonds (distance) C4'-P energy: -85.511 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -72.497 tors. eta vs tors. theta energy: -44.645 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: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -2329.199814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.199814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.199814 (E_RNA) where: Base-Base interactions energy: -1644.490 where: short stacking energy: -673.804 Base-Backbone interact. energy: -0.317 local terms energy: -684.392698 where: bonds (distance) C4'-P energy: -126.671 bonds (distance) P-C4' energy: -124.697 flat angles C4'-P-C4' energy: -135.717 flat angles P-C4'-P energy: -94.454 tors. eta vs tors. theta energy: -202.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2189.022464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.022464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.022464 (E_RNA) where: Base-Base interactions energy: -1517.446 where: short stacking energy: -613.914 Base-Backbone interact. energy: -0.263 local terms energy: -671.313254 where: bonds (distance) C4'-P energy: -127.520 bonds (distance) P-C4' energy: -127.735 flat angles C4'-P-C4' energy: -138.766 flat angles P-C4'-P energy: -94.054 tors. eta vs tors. theta energy: -183.238 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: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2149.025237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.025237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.025237 (E_RNA) where: Base-Base interactions energy: -1510.898 where: short stacking energy: -606.486 Base-Backbone interact. energy: -1.499 local terms energy: -636.628050 where: bonds (distance) C4'-P energy: -112.968 bonds (distance) P-C4' energy: -106.417 flat angles C4'-P-C4' energy: -141.426 flat angles P-C4'-P energy: -90.658 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2068.054119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.054119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.054119 (E_RNA) where: Base-Base interactions energy: -1431.044 where: short stacking energy: -609.928 Base-Backbone interact. energy: 3.972 local terms energy: -640.981914 where: bonds (distance) C4'-P energy: -103.077 bonds (distance) P-C4' energy: -127.250 flat angles C4'-P-C4' energy: -134.372 flat angles P-C4'-P energy: -89.546 tors. eta vs tors. theta energy: -186.738 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: 2 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1907.739587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.739587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.739587 (E_RNA) where: Base-Base interactions energy: -1333.034 where: short stacking energy: -532.905 Base-Backbone interact. energy: 0.380 local terms energy: -575.085248 where: bonds (distance) C4'-P energy: -108.189 bonds (distance) P-C4' energy: -117.727 flat angles C4'-P-C4' energy: -115.857 flat angles P-C4'-P energy: -74.642 tors. eta vs tors. theta energy: -158.671 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: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1702.533525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.533525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.533525 (E_RNA) where: Base-Base interactions energy: -1138.581 where: short stacking energy: -476.223 Base-Backbone interact. energy: -1.244 local terms energy: -562.708164 where: bonds (distance) C4'-P energy: -100.596 bonds (distance) P-C4' energy: -108.064 flat angles C4'-P-C4' energy: -135.336 flat angles P-C4'-P energy: -87.180 tors. eta vs tors. theta energy: -131.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1540.445853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.445853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.445853 (E_RNA) where: Base-Base interactions energy: -1020.021 where: short stacking energy: -442.242 Base-Backbone interact. energy: -1.506 local terms energy: -518.918681 where: bonds (distance) C4'-P energy: -99.770 bonds (distance) P-C4' energy: -96.014 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -67.768 tors. eta vs tors. theta energy: -133.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1470.866725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.866725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.866725 (E_RNA) where: Base-Base interactions energy: -974.873 where: short stacking energy: -422.678 Base-Backbone interact. energy: 1.867 local terms energy: -497.861027 where: bonds (distance) C4'-P energy: -96.289 bonds (distance) P-C4' energy: -114.698 flat angles C4'-P-C4' energy: -108.147 flat angles P-C4'-P energy: -75.326 tors. eta vs tors. theta energy: -103.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1148.332607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.332607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.332607 (E_RNA) where: Base-Base interactions energy: -712.420 where: short stacking energy: -320.034 Base-Backbone interact. energy: -2.350 local terms energy: -433.562291 where: bonds (distance) C4'-P energy: -103.364 bonds (distance) P-C4' energy: -80.138 flat angles C4'-P-C4' energy: -113.021 flat angles P-C4'-P energy: -63.682 tors. eta vs tors. theta energy: -73.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1061.156196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.156196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.156196 (E_RNA) where: Base-Base interactions energy: -687.277 where: short stacking energy: -290.647 Base-Backbone interact. energy: -3.260 local terms energy: -370.618835 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -86.910 flat angles P-C4'-P energy: -66.330 tors. eta vs tors. theta energy: -38.424 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: 8 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -2311.989463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.989463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.989463 (E_RNA) where: Base-Base interactions energy: -1642.273 where: short stacking energy: -675.121 Base-Backbone interact. energy: 0.489 local terms energy: -670.205543 where: bonds (distance) C4'-P energy: -113.883 bonds (distance) P-C4' energy: -128.188 flat angles C4'-P-C4' energy: -137.039 flat angles P-C4'-P energy: -91.286 tors. eta vs tors. theta energy: -199.810 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: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2220.986083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.986083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.986083 (E_RNA) where: Base-Base interactions energy: -1542.347 where: short stacking energy: -627.497 Base-Backbone interact. energy: -1.563 local terms energy: -677.076942 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -119.246 flat angles C4'-P-C4' energy: -145.758 flat angles P-C4'-P energy: -94.299 tors. eta vs tors. theta energy: -197.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2180.407903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.407903 (E_RNA) where: Base-Base interactions energy: -1521.130 where: short stacking energy: -615.533 Base-Backbone interact. energy: 1.238 local terms energy: -660.516273 where: bonds (distance) C4'-P energy: -124.615 bonds (distance) P-C4' energy: -126.809 flat angles C4'-P-C4' energy: -135.770 flat angles P-C4'-P energy: -96.992 tors. eta vs tors. theta energy: -176.331 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: 4, replica: 9 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2071.777184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.777184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.777184 (E_RNA) where: Base-Base interactions energy: -1427.150 where: short stacking energy: -589.753 Base-Backbone interact. energy: -2.073 local terms energy: -642.554735 where: bonds (distance) C4'-P energy: -112.104 bonds (distance) P-C4' energy: -123.730 flat angles C4'-P-C4' energy: -130.679 flat angles P-C4'-P energy: -95.532 tors. eta vs tors. theta energy: -180.510 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: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1930.853818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.853818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.853818 (E_RNA) where: Base-Base interactions energy: -1338.353 where: short stacking energy: -539.165 Base-Backbone interact. energy: 0.525 local terms energy: -593.026059 where: bonds (distance) C4'-P energy: -103.046 bonds (distance) P-C4' energy: -117.931 flat angles C4'-P-C4' energy: -126.932 flat angles P-C4'-P energy: -85.858 tors. eta vs tors. theta energy: -159.260 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1719.957522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.957522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.957522 (E_RNA) where: Base-Base interactions energy: -1152.219 where: short stacking energy: -490.581 Base-Backbone interact. energy: 1.859 local terms energy: -569.597852 where: bonds (distance) C4'-P energy: -110.812 bonds (distance) P-C4' energy: -103.862 flat angles C4'-P-C4' energy: -132.623 flat angles P-C4'-P energy: -84.219 tors. eta vs tors. theta energy: -138.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1535.739333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.739333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.739333 (E_RNA) where: Base-Base interactions energy: -1027.055 where: short stacking energy: -452.770 Base-Backbone interact. energy: 1.899 local terms energy: -510.582668 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -111.506 flat angles C4'-P-C4' energy: -108.424 flat angles P-C4'-P energy: -66.836 tors. eta vs tors. theta energy: -126.916 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: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1488.105251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.105251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.105251 (E_RNA) where: Base-Base interactions energy: -979.050 where: short stacking energy: -426.066 Base-Backbone interact. energy: 2.798 local terms energy: -511.853410 where: bonds (distance) C4'-P energy: -96.772 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -124.376 flat angles P-C4'-P energy: -77.035 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: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1125.013349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.013349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.013349 (E_RNA) where: Base-Base interactions energy: -705.518 where: short stacking energy: -333.130 Base-Backbone interact. energy: 0.383 local terms energy: -419.877975 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -109.849 flat angles P-C4'-P energy: -77.200 tors. eta vs tors. theta energy: -49.025 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: 302 Temperature: 1.350000 Total energy: -1098.094809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.094809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.094809 (E_RNA) where: Base-Base interactions energy: -679.008 where: short stacking energy: -293.323 Base-Backbone interact. energy: -1.656 local terms energy: -417.430833 where: bonds (distance) C4'-P energy: -93.720 bonds (distance) P-C4' energy: -99.105 flat angles C4'-P-C4' energy: -90.830 flat angles P-C4'-P energy: -80.002 tors. eta vs tors. theta energy: -53.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -2330.586194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.586194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.586194 (E_RNA) where: Base-Base interactions energy: -1635.108 where: short stacking energy: -664.016 Base-Backbone interact. energy: -2.563 local terms energy: -692.915391 where: bonds (distance) C4'-P energy: -118.748 bonds (distance) P-C4' energy: -123.574 flat angles C4'-P-C4' energy: -151.071 flat angles P-C4'-P energy: -99.738 tors. eta vs tors. theta energy: -199.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2196.984500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.984500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.984500 (E_RNA) where: Base-Base interactions energy: -1548.816 where: short stacking energy: -610.950 Base-Backbone interact. energy: 1.800 local terms energy: -649.968229 where: bonds (distance) C4'-P energy: -116.478 bonds (distance) P-C4' energy: -109.423 flat angles C4'-P-C4' energy: -141.332 flat angles P-C4'-P energy: -97.677 tors. eta vs tors. theta energy: -185.057 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: 303 Temperature: 1.000000 Total energy: -2128.829279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.829279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.829279 (E_RNA) where: Base-Base interactions energy: -1487.579 where: short stacking energy: -586.018 Base-Backbone interact. energy: -1.686 local terms energy: -639.563522 where: bonds (distance) C4'-P energy: -118.915 bonds (distance) P-C4' energy: -121.353 flat angles C4'-P-C4' energy: -131.023 flat angles P-C4'-P energy: -87.875 tors. eta vs tors. theta energy: -180.398 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: 9 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2077.097295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.097295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.097295 (E_RNA) where: Base-Base interactions energy: -1450.596 where: short stacking energy: -606.497 Base-Backbone interact. energy: -1.196 local terms energy: -625.305315 where: bonds (distance) C4'-P energy: -114.648 bonds (distance) P-C4' energy: -111.527 flat angles C4'-P-C4' energy: -129.731 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -184.946 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: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1924.297821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.297821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.297821 (E_RNA) where: Base-Base interactions energy: -1345.155 where: short stacking energy: -556.318 Base-Backbone interact. energy: -2.241 local terms energy: -576.902036 where: bonds (distance) C4'-P energy: -114.611 bonds (distance) P-C4' energy: -91.439 flat angles C4'-P-C4' energy: -128.806 flat angles P-C4'-P energy: -95.017 tors. eta vs tors. theta energy: -147.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1644.141467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.141467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.141467 (E_RNA) where: Base-Base interactions energy: -1121.763 where: short stacking energy: -477.908 Base-Backbone interact. energy: 2.982 local terms energy: -525.359969 where: bonds (distance) C4'-P energy: -117.648 bonds (distance) P-C4' energy: -104.315 flat angles C4'-P-C4' energy: -121.651 flat angles P-C4'-P energy: -55.225 tors. eta vs tors. theta energy: -126.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1530.542374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.542374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.542374 (E_RNA) where: Base-Base interactions energy: -1001.866 where: short stacking energy: -442.873 Base-Backbone interact. energy: -0.528 local terms energy: -528.148191 where: bonds (distance) C4'-P energy: -112.283 bonds (distance) P-C4' energy: -94.092 flat angles C4'-P-C4' energy: -121.228 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -123.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1497.563657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.563657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.563657 (E_RNA) where: Base-Base interactions energy: -980.089 where: short stacking energy: -429.986 Base-Backbone interact. energy: -1.957 local terms energy: -515.517677 where: bonds (distance) C4'-P energy: -99.931 bonds (distance) P-C4' energy: -99.366 flat angles C4'-P-C4' energy: -116.296 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -113.638 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: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1124.302823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.302823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.302823 (E_RNA) where: Base-Base interactions energy: -704.649 where: short stacking energy: -310.422 Base-Backbone interact. energy: 0.029 local terms energy: -419.683269 where: bonds (distance) C4'-P energy: -102.431 bonds (distance) P-C4' energy: -115.453 flat angles C4'-P-C4' energy: -84.398 flat angles P-C4'-P energy: -60.767 tors. eta vs tors. theta energy: -56.635 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: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1105.661793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.661793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.661793 (E_RNA) where: Base-Base interactions energy: -701.760 where: short stacking energy: -310.787 Base-Backbone interact. energy: 1.590 local terms energy: -405.491954 where: bonds (distance) C4'-P energy: -109.898 bonds (distance) P-C4' energy: -101.024 flat angles C4'-P-C4' energy: -85.884 flat angles P-C4'-P energy: -45.828 tors. eta vs tors. theta energy: -62.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2299.662091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.662091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.662091 (E_RNA) where: Base-Base interactions energy: -1603.267 where: short stacking energy: -646.249 Base-Backbone interact. energy: -3.180 local terms energy: -693.215268 where: bonds (distance) C4'-P energy: -119.547 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -138.998 flat angles P-C4'-P energy: -101.846 tors. eta vs tors. theta energy: -197.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2239.895846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.895846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.895846 (E_RNA) where: Base-Base interactions energy: -1561.140 where: short stacking energy: -640.251 Base-Backbone interact. energy: -3.473 local terms energy: -675.282702 where: bonds (distance) C4'-P energy: -115.769 bonds (distance) P-C4' energy: -129.255 flat angles C4'-P-C4' energy: -141.732 flat angles P-C4'-P energy: -100.368 tors. eta vs tors. theta energy: -188.160 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: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2148.093643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.093643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.093643 (E_RNA) where: Base-Base interactions energy: -1493.161 where: short stacking energy: -646.229 Base-Backbone interact. energy: -1.160 local terms energy: -653.772193 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -112.273 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -95.051 tors. eta vs tors. theta energy: -194.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2076.324756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.324756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.324756 (E_RNA) where: Base-Base interactions energy: -1442.894 where: short stacking energy: -614.797 Base-Backbone interact. energy: -1.503 local terms energy: -631.927690 where: bonds (distance) C4'-P energy: -112.784 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -76.805 tors. eta vs tors. theta energy: -188.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1929.605407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.605407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.605407 (E_RNA) where: Base-Base interactions energy: -1361.090 where: short stacking energy: -544.661 Base-Backbone interact. energy: -0.430 local terms energy: -568.085384 where: bonds (distance) C4'-P energy: -118.061 bonds (distance) P-C4' energy: -105.011 flat angles C4'-P-C4' energy: -118.975 flat angles P-C4'-P energy: -73.851 tors. eta vs tors. theta energy: -152.188 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: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1684.623959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.623959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.623959 (E_RNA) where: Base-Base interactions energy: -1138.732 where: short stacking energy: -474.158 Base-Backbone interact. energy: -0.393 local terms energy: -545.498612 where: bonds (distance) C4'-P energy: -109.666 bonds (distance) P-C4' energy: -112.696 flat angles C4'-P-C4' energy: -122.148 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -117.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1550.750732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.750732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.750732 (E_RNA) where: Base-Base interactions energy: -1027.982 where: short stacking energy: -445.006 Base-Backbone interact. energy: -2.014 local terms energy: -520.754097 where: bonds (distance) C4'-P energy: -93.424 bonds (distance) P-C4' energy: -112.402 flat angles C4'-P-C4' energy: -112.765 flat angles P-C4'-P energy: -90.553 tors. eta vs tors. theta energy: -111.609 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: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1497.918172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.918172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.918172 (E_RNA) where: Base-Base interactions energy: -980.788 where: short stacking energy: -420.770 Base-Backbone interact. energy: -1.687 local terms energy: -515.442476 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -103.568 flat angles C4'-P-C4' energy: -114.932 flat angles P-C4'-P energy: -79.465 tors. eta vs tors. theta energy: -107.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1145.064797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.064797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.064797 (E_RNA) where: Base-Base interactions energy: -724.834 where: short stacking energy: -312.676 Base-Backbone interact. energy: 0.163 local terms energy: -420.393516 where: bonds (distance) C4'-P energy: -95.656 bonds (distance) P-C4' energy: -113.055 flat angles C4'-P-C4' energy: -93.779 flat angles P-C4'-P energy: -59.465 tors. eta vs tors. theta energy: -58.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1103.414129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.414129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.414129 (E_RNA) where: Base-Base interactions energy: -692.023 where: short stacking energy: -322.858 Base-Backbone interact. energy: -1.079 local terms energy: -410.311991 where: bonds (distance) C4'-P energy: -99.758 bonds (distance) P-C4' energy: -98.178 flat angles C4'-P-C4' energy: -87.801 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -66.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -2310.505996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.505996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.505996 (E_RNA) where: Base-Base interactions energy: -1636.694 where: short stacking energy: -664.214 Base-Backbone interact. energy: -0.938 local terms energy: -672.873776 where: bonds (distance) C4'-P energy: -120.317 bonds (distance) P-C4' energy: -118.407 flat angles C4'-P-C4' energy: -142.933 flat angles P-C4'-P energy: -100.352 tors. eta vs tors. theta energy: -190.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2209.638821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.638821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.638821 (E_RNA) where: Base-Base interactions energy: -1540.680 where: short stacking energy: -634.659 Base-Backbone interact. energy: -2.561 local terms energy: -666.397564 where: bonds (distance) C4'-P energy: -125.442 bonds (distance) P-C4' energy: -119.454 flat angles C4'-P-C4' energy: -132.430 flat angles P-C4'-P energy: -98.487 tors. eta vs tors. theta energy: -190.584 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: 9 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2150.411270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.411270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.411270 (E_RNA) where: Base-Base interactions energy: -1504.653 where: short stacking energy: -613.031 Base-Backbone interact. energy: -0.603 local terms energy: -645.155753 where: bonds (distance) C4'-P energy: -119.647 bonds (distance) P-C4' energy: -116.527 flat angles C4'-P-C4' energy: -126.506 flat angles P-C4'-P energy: -87.190 tors. eta vs tors. theta energy: -195.285 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: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2091.889727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.889727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.889727 (E_RNA) where: Base-Base interactions energy: -1445.221 where: short stacking energy: -565.588 Base-Backbone interact. energy: -0.894 local terms energy: -645.774162 where: bonds (distance) C4'-P energy: -121.418 bonds (distance) P-C4' energy: -115.373 flat angles C4'-P-C4' energy: -131.257 flat angles P-C4'-P energy: -98.827 tors. eta vs tors. theta energy: -178.899 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: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1908.240189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.240189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.240189 (E_RNA) where: Base-Base interactions energy: -1323.001 where: short stacking energy: -539.757 Base-Backbone interact. energy: -2.144 local terms energy: -583.095090 where: bonds (distance) C4'-P energy: -114.912 bonds (distance) P-C4' energy: -114.407 flat angles C4'-P-C4' energy: -121.514 flat angles P-C4'-P energy: -84.644 tors. eta vs tors. theta energy: -147.617 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1677.678566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.678566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.678566 (E_RNA) where: Base-Base interactions energy: -1117.454 where: short stacking energy: -478.040 Base-Backbone interact. energy: 0.583 local terms energy: -560.807232 where: bonds (distance) C4'-P energy: -99.863 bonds (distance) P-C4' energy: -123.836 flat angles C4'-P-C4' energy: -134.676 flat angles P-C4'-P energy: -69.268 tors. eta vs tors. theta energy: -133.164 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: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1563.385254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.385254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.385254 (E_RNA) where: Base-Base interactions energy: -1044.598 where: short stacking energy: -447.031 Base-Backbone interact. energy: -0.460 local terms energy: -518.327081 where: bonds (distance) C4'-P energy: -100.482 bonds (distance) P-C4' energy: -112.759 flat angles C4'-P-C4' energy: -117.578 flat angles P-C4'-P energy: -74.645 tors. eta vs tors. theta energy: -112.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1488.292504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.292504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.292504 (E_RNA) where: Base-Base interactions energy: -985.980 where: short stacking energy: -419.300 Base-Backbone interact. energy: -1.946 local terms energy: -500.367051 where: bonds (distance) C4'-P energy: -80.230 bonds (distance) P-C4' energy: -112.797 flat angles C4'-P-C4' energy: -114.646 flat angles P-C4'-P energy: -78.429 tors. eta vs tors. theta energy: -114.265 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: 7 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1156.286478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.286478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.286478 (E_RNA) where: Base-Base interactions energy: -734.691 where: short stacking energy: -336.368 Base-Backbone interact. energy: 0.089 local terms energy: -421.684807 where: bonds (distance) C4'-P energy: -97.291 bonds (distance) P-C4' energy: -94.964 flat angles C4'-P-C4' energy: -102.077 flat angles P-C4'-P energy: -54.605 tors. eta vs tors. theta energy: -72.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1093.405898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.405898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.405898 (E_RNA) where: Base-Base interactions energy: -693.833 where: short stacking energy: -296.580 Base-Backbone interact. energy: -0.429 local terms energy: -399.143543 where: bonds (distance) C4'-P energy: -94.357 bonds (distance) P-C4' energy: -101.664 flat angles C4'-P-C4' energy: -107.278 flat angles P-C4'-P energy: -37.633 tors. eta vs tors. theta energy: -58.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -2319.157480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.157480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.157480 (E_RNA) where: Base-Base interactions energy: -1642.984 where: short stacking energy: -657.862 Base-Backbone interact. energy: -2.400 local terms energy: -673.774346 where: bonds (distance) C4'-P energy: -118.855 bonds (distance) P-C4' energy: -121.808 flat angles C4'-P-C4' energy: -134.661 flat angles P-C4'-P energy: -100.304 tors. eta vs tors. theta energy: -198.146 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: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2218.229626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.229626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.229626 (E_RNA) where: Base-Base interactions energy: -1530.766 where: short stacking energy: -619.252 Base-Backbone interact. energy: -5.199 local terms energy: -682.264001 where: bonds (distance) C4'-P energy: -131.344 bonds (distance) P-C4' energy: -129.737 flat angles C4'-P-C4' energy: -134.575 flat angles P-C4'-P energy: -99.655 tors. eta vs tors. theta energy: -186.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2152.570761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.570761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.570761 (E_RNA) where: Base-Base interactions energy: -1512.442 where: short stacking energy: -631.522 Base-Backbone interact. energy: 1.196 local terms energy: -641.325180 where: bonds (distance) C4'-P energy: -121.956 bonds (distance) P-C4' energy: -97.704 flat angles C4'-P-C4' energy: -142.381 flat angles P-C4'-P energy: -88.052 tors. eta vs tors. theta energy: -191.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2084.731108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.731108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.731108 (E_RNA) where: Base-Base interactions energy: -1455.064 where: short stacking energy: -606.337 Base-Backbone interact. energy: -0.650 local terms energy: -629.016776 where: bonds (distance) C4'-P energy: -113.433 bonds (distance) P-C4' energy: -117.102 flat angles C4'-P-C4' energy: -126.827 flat angles P-C4'-P energy: -83.828 tors. eta vs tors. theta energy: -187.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1868.119972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.119972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.119972 (E_RNA) where: Base-Base interactions energy: -1289.466 where: short stacking energy: -526.674 Base-Backbone interact. energy: 1.403 local terms energy: -580.056956 where: bonds (distance) C4'-P energy: -101.915 bonds (distance) P-C4' energy: -112.991 flat angles C4'-P-C4' energy: -125.549 flat angles P-C4'-P energy: -81.754 tors. eta vs tors. theta energy: -157.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1702.617662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.617662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.617662 (E_RNA) where: Base-Base interactions energy: -1144.172 where: short stacking energy: -490.738 Base-Backbone interact. energy: 0.105 local terms energy: -558.550581 where: bonds (distance) C4'-P energy: -126.316 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -120.672 flat angles P-C4'-P energy: -71.762 tors. eta vs tors. theta energy: -148.100 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: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1528.176158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.176158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.176158 (E_RNA) where: Base-Base interactions energy: -1014.618 where: short stacking energy: -445.238 Base-Backbone interact. energy: -0.157 local terms energy: -513.400488 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -99.346 flat angles C4'-P-C4' energy: -133.971 flat angles P-C4'-P energy: -81.766 tors. eta vs tors. theta energy: -104.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1524.837063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.837063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.837063 (E_RNA) where: Base-Base interactions energy: -1049.619 where: short stacking energy: -432.697 Base-Backbone interact. energy: 3.128 local terms energy: -478.345129 where: bonds (distance) C4'-P energy: -83.737 bonds (distance) P-C4' energy: -107.164 flat angles C4'-P-C4' energy: -106.759 flat angles P-C4'-P energy: -61.925 tors. eta vs tors. theta energy: -118.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1197.032719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.032719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.032719 (E_RNA) where: Base-Base interactions energy: -768.150 where: short stacking energy: -350.542 Base-Backbone interact. energy: 1.695 local terms energy: -430.578467 where: bonds (distance) C4'-P energy: -105.493 bonds (distance) P-C4' energy: -96.738 flat angles C4'-P-C4' energy: -86.136 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -79.253 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: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1147.588684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.588684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.588684 (E_RNA) where: Base-Base interactions energy: -698.169 where: short stacking energy: -332.029 Base-Backbone interact. energy: 2.262 local terms energy: -451.681698 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -107.062 flat angles C4'-P-C4' energy: -106.670 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -70.051 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: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -2339.036757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.036757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.036757 (E_RNA) where: Base-Base interactions energy: -1624.147 where: short stacking energy: -635.431 Base-Backbone interact. energy: -0.313 local terms energy: -714.576724 where: bonds (distance) C4'-P energy: -128.800 bonds (distance) P-C4' energy: -126.351 flat angles C4'-P-C4' energy: -155.991 flat angles P-C4'-P energy: -95.964 tors. eta vs tors. theta energy: -207.471 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: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2211.335261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.335261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.335261 (E_RNA) where: Base-Base interactions energy: -1546.726 where: short stacking energy: -627.628 Base-Backbone interact. energy: -2.371 local terms energy: -662.237406 where: bonds (distance) C4'-P energy: -113.643 bonds (distance) P-C4' energy: -118.762 flat angles C4'-P-C4' energy: -146.204 flat angles P-C4'-P energy: -98.376 tors. eta vs tors. theta energy: -185.251 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: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2171.537080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.537080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.537080 (E_RNA) where: Base-Base interactions energy: -1530.416 where: short stacking energy: -635.474 Base-Backbone interact. energy: -4.451 local terms energy: -636.670001 where: bonds (distance) C4'-P energy: -109.667 bonds (distance) P-C4' energy: -113.628 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -87.855 tors. eta vs tors. theta energy: -188.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2129.101439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.101439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.101439 (E_RNA) where: Base-Base interactions energy: -1508.755 where: short stacking energy: -617.977 Base-Backbone interact. energy: 0.139 local terms energy: -620.485545 where: bonds (distance) C4'-P energy: -100.681 bonds (distance) P-C4' energy: -109.153 flat angles C4'-P-C4' energy: -128.524 flat angles P-C4'-P energy: -92.018 tors. eta vs tors. theta energy: -190.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1877.496052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.496052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.496052 (E_RNA) where: Base-Base interactions energy: -1291.656 where: short stacking energy: -518.248 Base-Backbone interact. energy: -0.601 local terms energy: -585.239053 where: bonds (distance) C4'-P energy: -116.507 bonds (distance) P-C4' energy: -110.188 flat angles C4'-P-C4' energy: -127.102 flat angles P-C4'-P energy: -86.392 tors. eta vs tors. theta energy: -145.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1717.708354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.708354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.708354 (E_RNA) where: Base-Base interactions energy: -1172.588 where: short stacking energy: -486.390 Base-Backbone interact. energy: -1.650 local terms energy: -543.470323 where: bonds (distance) C4'-P energy: -113.663 bonds (distance) P-C4' energy: -104.099 flat angles C4'-P-C4' energy: -110.033 flat angles P-C4'-P energy: -83.191 tors. eta vs tors. theta energy: -132.485 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: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1495.118249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.118249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.118249 (E_RNA) where: Base-Base interactions energy: -970.539 where: short stacking energy: -424.664 Base-Backbone interact. energy: 1.633 local terms energy: -526.212259 where: bonds (distance) C4'-P energy: -102.473 bonds (distance) P-C4' energy: -113.331 flat angles C4'-P-C4' energy: -109.057 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -120.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1542.089347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.089347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.089347 (E_RNA) where: Base-Base interactions energy: -1066.972 where: short stacking energy: -470.379 Base-Backbone interact. energy: -0.885 local terms energy: -474.232323 where: bonds (distance) C4'-P energy: -93.835 bonds (distance) P-C4' energy: -98.618 flat angles C4'-P-C4' energy: -110.776 flat angles P-C4'-P energy: -52.716 tors. eta vs tors. theta energy: -118.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1214.852449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.852449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.852449 (E_RNA) where: Base-Base interactions energy: -778.812 where: short stacking energy: -352.631 Base-Backbone interact. energy: 0.687 local terms energy: -436.727288 where: bonds (distance) C4'-P energy: -93.111 bonds (distance) P-C4' energy: -99.010 flat angles C4'-P-C4' energy: -113.667 flat angles P-C4'-P energy: -58.477 tors. eta vs tors. theta energy: -72.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1142.337606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.337606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.337606 (E_RNA) where: Base-Base interactions energy: -735.175 where: short stacking energy: -323.746 Base-Backbone interact. energy: 0.110 local terms energy: -407.271886 where: bonds (distance) C4'-P energy: -92.154 bonds (distance) P-C4' energy: -93.495 flat angles C4'-P-C4' energy: -93.024 flat angles P-C4'-P energy: -66.811 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: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -2338.598819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.598819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.598819 (E_RNA) where: Base-Base interactions energy: -1651.607 where: short stacking energy: -669.832 Base-Backbone interact. energy: -1.408 local terms energy: -685.583708 where: bonds (distance) C4'-P energy: -121.116 bonds (distance) P-C4' energy: -126.249 flat angles C4'-P-C4' energy: -140.894 flat angles P-C4'-P energy: -96.513 tors. eta vs tors. theta energy: -200.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2232.886484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.886484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.886484 (E_RNA) where: Base-Base interactions energy: -1562.883 where: short stacking energy: -630.818 Base-Backbone interact. energy: -2.820 local terms energy: -667.182807 where: bonds (distance) C4'-P energy: -132.732 bonds (distance) P-C4' energy: -121.078 flat angles C4'-P-C4' energy: -138.026 flat angles P-C4'-P energy: -91.393 tors. eta vs tors. theta energy: -183.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2166.172327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.172327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.172327 (E_RNA) where: Base-Base interactions energy: -1511.819 where: short stacking energy: -648.180 Base-Backbone interact. energy: 1.517 local terms energy: -655.870615 where: bonds (distance) C4'-P energy: -123.558 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -145.909 flat angles P-C4'-P energy: -90.874 tors. eta vs tors. theta energy: -193.754 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2081.332737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.332737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.332737 (E_RNA) where: Base-Base interactions energy: -1450.603 where: short stacking energy: -599.517 Base-Backbone interact. energy: -0.063 local terms energy: -630.666302 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -118.808 flat angles C4'-P-C4' energy: -129.560 flat angles P-C4'-P energy: -84.842 tors. eta vs tors. theta energy: -198.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1891.454957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.454957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.454957 (E_RNA) where: Base-Base interactions energy: -1318.938 where: short stacking energy: -549.466 Base-Backbone interact. energy: 2.514 local terms energy: -575.031238 where: bonds (distance) C4'-P energy: -108.314 bonds (distance) P-C4' energy: -106.849 flat angles C4'-P-C4' energy: -117.422 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -165.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1763.425585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.425585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.425585 (E_RNA) where: Base-Base interactions energy: -1206.422 where: short stacking energy: -507.409 Base-Backbone interact. energy: 0.855 local terms energy: -557.859089 where: bonds (distance) C4'-P energy: -107.225 bonds (distance) P-C4' energy: -96.445 flat angles C4'-P-C4' energy: -118.421 flat angles P-C4'-P energy: -87.730 tors. eta vs tors. theta energy: -148.039 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: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1472.096601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.096601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.096601 (E_RNA) where: Base-Base interactions energy: -946.980 where: short stacking energy: -426.710 Base-Backbone interact. energy: 0.611 local terms energy: -525.727570 where: bonds (distance) C4'-P energy: -112.234 bonds (distance) P-C4' energy: -101.542 flat angles C4'-P-C4' energy: -119.922 flat angles P-C4'-P energy: -82.461 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: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1493.536486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.536486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.536486 (E_RNA) where: Base-Base interactions energy: -1016.548 where: short stacking energy: -421.132 Base-Backbone interact. energy: -1.981 local terms energy: -475.007799 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -107.184 flat angles C4'-P-C4' energy: -106.962 flat angles P-C4'-P energy: -71.093 tors. eta vs tors. theta energy: -97.771 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: 7 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1182.117359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.117359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.117359 (E_RNA) where: Base-Base interactions energy: -735.528 where: short stacking energy: -304.218 Base-Backbone interact. energy: 2.134 local terms energy: -448.723001 where: bonds (distance) C4'-P energy: -101.923 bonds (distance) P-C4' energy: -113.911 flat angles C4'-P-C4' energy: -109.201 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: -46.056 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: 10, replica: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1135.407422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.407422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.407422 (E_RNA) where: Base-Base interactions energy: -708.805 where: short stacking energy: -334.748 Base-Backbone interact. energy: 0.286 local terms energy: -426.888203 where: bonds (distance) C4'-P energy: -90.862 bonds (distance) P-C4' energy: -105.499 flat angles C4'-P-C4' energy: -100.204 flat angles P-C4'-P energy: -67.472 tors. eta vs tors. theta energy: -62.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -2345.110394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.110394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.110394 (E_RNA) where: Base-Base interactions energy: -1648.894 where: short stacking energy: -678.770 Base-Backbone interact. energy: -2.360 local terms energy: -693.856893 where: bonds (distance) C4'-P energy: -113.425 bonds (distance) P-C4' energy: -125.058 flat angles C4'-P-C4' energy: -141.678 flat angles P-C4'-P energy: -100.686 tors. eta vs tors. theta energy: -213.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2215.368296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.368296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.368296 (E_RNA) where: Base-Base interactions energy: -1536.978 where: short stacking energy: -628.793 Base-Backbone interact. energy: -4.299 local terms energy: -674.091675 where: bonds (distance) C4'-P energy: -131.793 bonds (distance) P-C4' energy: -111.853 flat angles C4'-P-C4' energy: -140.571 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -181.543 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: 6 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2141.789168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.789168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.789168 (E_RNA) where: Base-Base interactions energy: -1479.815 where: short stacking energy: -611.549 Base-Backbone interact. energy: 3.529 local terms energy: -665.503266 where: bonds (distance) C4'-P energy: -114.878 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -140.896 flat angles P-C4'-P energy: -90.619 tors. eta vs tors. theta energy: -182.998 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: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2102.539096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.539096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.539096 (E_RNA) where: Base-Base interactions energy: -1478.928 where: short stacking energy: -618.300 Base-Backbone interact. energy: -3.194 local terms energy: -620.417504 where: bonds (distance) C4'-P energy: -101.541 bonds (distance) P-C4' energy: -108.481 flat angles C4'-P-C4' energy: -137.287 flat angles P-C4'-P energy: -81.891 tors. eta vs tors. theta energy: -191.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1872.431003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.431003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.431003 (E_RNA) where: Base-Base interactions energy: -1323.777 where: short stacking energy: -520.781 Base-Backbone interact. energy: -2.425 local terms energy: -546.229379 where: bonds (distance) C4'-P energy: -77.385 bonds (distance) P-C4' energy: -105.793 flat angles C4'-P-C4' energy: -127.667 flat angles P-C4'-P energy: -91.354 tors. eta vs tors. theta energy: -144.031 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1759.238298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.238298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.238298 (E_RNA) where: Base-Base interactions energy: -1175.475 where: short stacking energy: -480.232 Base-Backbone interact. energy: -1.133 local terms energy: -582.630686 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -116.083 flat angles C4'-P-C4' energy: -135.562 flat angles P-C4'-P energy: -94.960 tors. eta vs tors. theta energy: -141.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1473.364715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.364715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.364715 (E_RNA) where: Base-Base interactions energy: -956.172 where: short stacking energy: -423.486 Base-Backbone interact. energy: -3.108 local terms energy: -514.084640 where: bonds (distance) C4'-P energy: -89.984 bonds (distance) P-C4' energy: -113.533 flat angles C4'-P-C4' energy: -110.878 flat angles P-C4'-P energy: -87.052 tors. eta vs tors. theta energy: -112.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1477.660045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.660045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.660045 (E_RNA) where: Base-Base interactions energy: -993.255 where: short stacking energy: -438.154 Base-Backbone interact. energy: -1.950 local terms energy: -482.455121 where: bonds (distance) C4'-P energy: -85.893 bonds (distance) P-C4' energy: -102.749 flat angles C4'-P-C4' energy: -110.889 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -114.691 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: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1193.392648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.392648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.392648 (E_RNA) where: Base-Base interactions energy: -762.701 where: short stacking energy: -314.878 Base-Backbone interact. energy: 1.149 local terms energy: -431.840923 where: bonds (distance) C4'-P energy: -91.245 bonds (distance) P-C4' energy: -106.811 flat angles C4'-P-C4' energy: -94.499 flat angles P-C4'-P energy: -78.273 tors. eta vs tors. theta energy: -61.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1142.389964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.389964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.389964 (E_RNA) where: Base-Base interactions energy: -710.991 where: short stacking energy: -311.085 Base-Backbone interact. energy: 0.872 local terms energy: -432.270867 where: bonds (distance) C4'-P energy: -100.650 bonds (distance) P-C4' energy: -109.655 flat angles C4'-P-C4' energy: -107.241 flat angles P-C4'-P energy: -58.876 tors. eta vs tors. theta energy: -55.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -2311.273088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.273088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.273088 (E_RNA) where: Base-Base interactions energy: -1630.175 where: short stacking energy: -663.650 Base-Backbone interact. energy: -1.032 local terms energy: -680.066048 where: bonds (distance) C4'-P energy: -120.320 bonds (distance) P-C4' energy: -118.129 flat angles C4'-P-C4' energy: -149.506 flat angles P-C4'-P energy: -85.116 tors. eta vs tors. theta energy: -206.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2201.872359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.872359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.872359 (E_RNA) where: Base-Base interactions energy: -1558.520 where: short stacking energy: -639.511 Base-Backbone interact. energy: -0.524 local terms energy: -642.828641 where: bonds (distance) C4'-P energy: -114.754 bonds (distance) P-C4' energy: -116.049 flat angles C4'-P-C4' energy: -127.716 flat angles P-C4'-P energy: -94.722 tors. eta vs tors. theta energy: -189.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2097.468473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.468473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.468473 (E_RNA) where: Base-Base interactions energy: -1462.660 where: short stacking energy: -626.882 Base-Backbone interact. energy: -1.338 local terms energy: -633.470627 where: bonds (distance) C4'-P energy: -111.606 bonds (distance) P-C4' energy: -119.728 flat angles C4'-P-C4' energy: -133.053 flat angles P-C4'-P energy: -88.960 tors. eta vs tors. theta energy: -180.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2075.043860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.043860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.043860 (E_RNA) where: Base-Base interactions energy: -1430.293 where: short stacking energy: -600.685 Base-Backbone interact. energy: -1.782 local terms energy: -642.968293 where: bonds (distance) C4'-P energy: -108.932 bonds (distance) P-C4' energy: -117.732 flat angles C4'-P-C4' energy: -137.479 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -184.219 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: 5, replica: 2 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1883.786636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.786636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.786636 (E_RNA) where: Base-Base interactions energy: -1311.864 where: short stacking energy: -526.429 Base-Backbone interact. energy: 0.398 local terms energy: -572.321415 where: bonds (distance) C4'-P energy: -106.163 bonds (distance) P-C4' energy: -108.605 flat angles C4'-P-C4' energy: -124.958 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -143.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1729.201483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.201483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.201483 (E_RNA) where: Base-Base interactions energy: -1177.226 where: short stacking energy: -482.614 Base-Backbone interact. energy: -0.176 local terms energy: -551.800171 where: bonds (distance) C4'-P energy: -101.220 bonds (distance) P-C4' energy: -113.993 flat angles C4'-P-C4' energy: -122.165 flat angles P-C4'-P energy: -75.591 tors. eta vs tors. theta energy: -138.831 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: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1527.672378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.672378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.672378 (E_RNA) where: Base-Base interactions energy: -996.760 where: short stacking energy: -438.504 Base-Backbone interact. energy: 0.298 local terms energy: -531.211117 where: bonds (distance) C4'-P energy: -102.763 bonds (distance) P-C4' energy: -124.019 flat angles C4'-P-C4' energy: -108.200 flat angles P-C4'-P energy: -76.480 tors. eta vs tors. theta energy: -119.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1442.020749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.020749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.020749 (E_RNA) where: Base-Base interactions energy: -974.532 where: short stacking energy: -445.144 Base-Backbone interact. energy: -0.975 local terms energy: -466.513074 where: bonds (distance) C4'-P energy: -79.693 bonds (distance) P-C4' energy: -93.917 flat angles C4'-P-C4' energy: -103.202 flat angles P-C4'-P energy: -72.528 tors. eta vs tors. theta energy: -117.173 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: 7 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1232.099892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.099892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.099892 (E_RNA) where: Base-Base interactions energy: -785.086 where: short stacking energy: -337.629 Base-Backbone interact. energy: 2.333 local terms energy: -449.346834 where: bonds (distance) C4'-P energy: -81.943 bonds (distance) P-C4' energy: -106.459 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -77.613 tors. eta vs tors. theta energy: -73.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1146.805069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.805069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.805069 (E_RNA) where: Base-Base interactions energy: -706.913 where: short stacking energy: -319.251 Base-Backbone interact. energy: -1.814 local terms energy: -438.077566 where: bonds (distance) C4'-P energy: -106.872 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -58.167 tors. eta vs tors. theta energy: -62.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -2313.647065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.647065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.647065 (E_RNA) where: Base-Base interactions energy: -1612.673 where: short stacking energy: -657.792 Base-Backbone interact. energy: -2.309 local terms energy: -698.664868 where: bonds (distance) C4'-P energy: -124.609 bonds (distance) P-C4' energy: -140.329 flat angles C4'-P-C4' energy: -135.337 flat angles P-C4'-P energy: -97.922 tors. eta vs tors. theta energy: -200.469 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: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2204.141705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.141705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.141705 (E_RNA) where: Base-Base interactions energy: -1527.523 where: short stacking energy: -638.106 Base-Backbone interact. energy: -0.086 local terms energy: -676.533312 where: bonds (distance) C4'-P energy: -107.166 bonds (distance) P-C4' energy: -122.589 flat angles C4'-P-C4' energy: -145.148 flat angles P-C4'-P energy: -102.635 tors. eta vs tors. theta energy: -198.995 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: 6 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2086.854618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.854618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.854618 (E_RNA) where: Base-Base interactions energy: -1467.764 where: short stacking energy: -595.537 Base-Backbone interact. energy: 0.610 local terms energy: -619.700454 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -113.254 flat angles C4'-P-C4' energy: -143.720 flat angles P-C4'-P energy: -87.974 tors. eta vs tors. theta energy: -166.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2083.104845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.104845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.104845 (E_RNA) where: Base-Base interactions energy: -1452.122 where: short stacking energy: -593.774 Base-Backbone interact. energy: -2.488 local terms energy: -628.494709 where: bonds (distance) C4'-P energy: -105.554 bonds (distance) P-C4' energy: -106.633 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -88.711 tors. eta vs tors. theta energy: -187.289 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: 2 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1895.995131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.995131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.995131 (E_RNA) where: Base-Base interactions energy: -1340.370 where: short stacking energy: -516.529 Base-Backbone interact. energy: -1.603 local terms energy: -554.022130 where: bonds (distance) C4'-P energy: -118.738 bonds (distance) P-C4' energy: -94.172 flat angles C4'-P-C4' energy: -126.125 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -153.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1678.542562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.542562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.542562 (E_RNA) where: Base-Base interactions energy: -1123.396 where: short stacking energy: -462.242 Base-Backbone interact. energy: -0.378 local terms energy: -554.767979 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -108.230 flat angles C4'-P-C4' energy: -132.730 flat angles P-C4'-P energy: -78.562 tors. eta vs tors. theta energy: -131.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1563.595558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.595558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.595558 (E_RNA) where: Base-Base interactions energy: -1065.045 where: short stacking energy: -469.928 Base-Backbone interact. energy: 0.786 local terms energy: -499.336391 where: bonds (distance) C4'-P energy: -92.625 bonds (distance) P-C4' energy: -99.055 flat angles C4'-P-C4' energy: -99.355 flat angles P-C4'-P energy: -72.641 tors. eta vs tors. theta energy: -135.660 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: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1413.973614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.973614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.973614 (E_RNA) where: Base-Base interactions energy: -948.971 where: short stacking energy: -416.737 Base-Backbone interact. energy: 0.723 local terms energy: -465.725734 where: bonds (distance) C4'-P energy: -89.220 bonds (distance) P-C4' energy: -102.598 flat angles C4'-P-C4' energy: -115.104 flat angles P-C4'-P energy: -69.725 tors. eta vs tors. theta energy: -89.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1219.386932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.386932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.386932 (E_RNA) where: Base-Base interactions energy: -780.269 where: short stacking energy: -348.428 Base-Backbone interact. energy: -0.047 local terms energy: -439.071289 where: bonds (distance) C4'-P energy: -118.336 bonds (distance) P-C4' energy: -84.307 flat angles C4'-P-C4' energy: -112.654 flat angles P-C4'-P energy: -59.822 tors. eta vs tors. theta energy: -63.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1178.919596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.919596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.919596 (E_RNA) where: Base-Base interactions energy: -753.633 where: short stacking energy: -322.554 Base-Backbone interact. energy: -2.824 local terms energy: -422.462686 where: bonds (distance) C4'-P energy: -82.859 bonds (distance) P-C4' energy: -109.708 flat angles C4'-P-C4' energy: -99.461 flat angles P-C4'-P energy: -75.025 tors. eta vs tors. theta energy: -55.410 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: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2293.598245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.598245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.598245 (E_RNA) where: Base-Base interactions energy: -1616.101 where: short stacking energy: -654.296 Base-Backbone interact. energy: -2.550 local terms energy: -674.946739 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -127.741 flat angles C4'-P-C4' energy: -140.939 flat angles P-C4'-P energy: -97.814 tors. eta vs tors. theta energy: -204.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2186.535411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.535411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.535411 (E_RNA) where: Base-Base interactions energy: -1519.511 where: short stacking energy: -633.518 Base-Backbone interact. energy: -4.371 local terms energy: -662.653633 where: bonds (distance) C4'-P energy: -108.151 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -144.631 flat angles P-C4'-P energy: -92.795 tors. eta vs tors. theta energy: -188.650 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: 312 Temperature: 1.000000 Total energy: -2134.351052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.351052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.351052 (E_RNA) where: Base-Base interactions energy: -1469.400 where: short stacking energy: -613.727 Base-Backbone interact. energy: -0.219 local terms energy: -664.732450 where: bonds (distance) C4'-P energy: -129.285 bonds (distance) P-C4' energy: -106.891 flat angles C4'-P-C4' energy: -145.533 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -186.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2133.435939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.435939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.435939 (E_RNA) where: Base-Base interactions energy: -1485.580 where: short stacking energy: -630.378 Base-Backbone interact. energy: -0.858 local terms energy: -646.997540 where: bonds (distance) C4'-P energy: -109.269 bonds (distance) P-C4' energy: -111.740 flat angles C4'-P-C4' energy: -131.164 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -197.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1928.414349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.414349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.414349 (E_RNA) where: Base-Base interactions energy: -1342.003 where: short stacking energy: -530.784 Base-Backbone interact. energy: 1.627 local terms energy: -588.038689 where: bonds (distance) C4'-P energy: -110.019 bonds (distance) P-C4' energy: -104.251 flat angles C4'-P-C4' energy: -129.968 flat angles P-C4'-P energy: -86.559 tors. eta vs tors. theta energy: -157.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1708.573087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.573087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.573087 (E_RNA) where: Base-Base interactions energy: -1145.495 where: short stacking energy: -464.691 Base-Backbone interact. energy: 0.518 local terms energy: -563.595439 where: bonds (distance) C4'-P energy: -119.234 bonds (distance) P-C4' energy: -113.379 flat angles C4'-P-C4' energy: -123.359 flat angles P-C4'-P energy: -73.785 tors. eta vs tors. theta energy: -133.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1595.877186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.877186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.877186 (E_RNA) where: Base-Base interactions energy: -1074.988 where: short stacking energy: -472.289 Base-Backbone interact. energy: 2.330 local terms energy: -523.218739 where: bonds (distance) C4'-P energy: -93.725 bonds (distance) P-C4' energy: -93.616 flat angles C4'-P-C4' energy: -123.150 flat angles P-C4'-P energy: -73.827 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: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1424.786523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.786523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.786523 (E_RNA) where: Base-Base interactions energy: -982.249 where: short stacking energy: -417.653 Base-Backbone interact. energy: 4.677 local terms energy: -447.214379 where: bonds (distance) C4'-P energy: -90.074 bonds (distance) P-C4' energy: -80.757 flat angles C4'-P-C4' energy: -117.854 flat angles P-C4'-P energy: -59.192 tors. eta vs tors. theta energy: -99.339 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: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1237.018302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.018302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.018302 (E_RNA) where: Base-Base interactions energy: -794.484 where: short stacking energy: -338.457 Base-Backbone interact. energy: 0.445 local terms energy: -442.979359 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -103.167 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -86.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1127.259170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.259170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.259170 (E_RNA) where: Base-Base interactions energy: -716.782 where: short stacking energy: -315.900 Base-Backbone interact. energy: -1.345 local terms energy: -409.131930 where: bonds (distance) C4'-P energy: -91.256 bonds (distance) P-C4' energy: -83.597 flat angles C4'-P-C4' energy: -104.710 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -65.839 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: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -2302.568002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.568002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.568002 (E_RNA) where: Base-Base interactions energy: -1612.655 where: short stacking energy: -645.167 Base-Backbone interact. energy: -2.528 local terms energy: -687.384682 where: bonds (distance) C4'-P energy: -110.884 bonds (distance) P-C4' energy: -126.307 flat angles C4'-P-C4' energy: -144.226 flat angles P-C4'-P energy: -103.829 tors. eta vs tors. theta energy: -202.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2188.929687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.929687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.929687 (E_RNA) where: Base-Base interactions energy: -1521.602 where: short stacking energy: -623.781 Base-Backbone interact. energy: -2.603 local terms energy: -664.724970 where: bonds (distance) C4'-P energy: -109.290 bonds (distance) P-C4' energy: -138.329 flat angles C4'-P-C4' energy: -135.048 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -182.369 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: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2162.022465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.022465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.022465 (E_RNA) where: Base-Base interactions energy: -1535.334 where: short stacking energy: -621.757 Base-Backbone interact. energy: -5.012 local terms energy: -621.676513 where: bonds (distance) C4'-P energy: -103.353 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -133.295 flat angles P-C4'-P energy: -83.688 tors. eta vs tors. theta energy: -185.643 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2105.130607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.130607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.130607 (E_RNA) where: Base-Base interactions energy: -1448.067 where: short stacking energy: -590.333 Base-Backbone interact. energy: -2.465 local terms energy: -654.598700 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -143.593 flat angles P-C4'-P energy: -99.587 tors. eta vs tors. theta energy: -183.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1930.097797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.097797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.097797 (E_RNA) where: Base-Base interactions energy: -1340.503 where: short stacking energy: -542.953 Base-Backbone interact. energy: -2.478 local terms energy: -587.116597 where: bonds (distance) C4'-P energy: -108.002 bonds (distance) P-C4' energy: -110.710 flat angles C4'-P-C4' energy: -130.058 flat angles P-C4'-P energy: -84.498 tors. eta vs tors. theta energy: -153.849 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: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1743.200652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.200652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.200652 (E_RNA) where: Base-Base interactions energy: -1191.374 where: short stacking energy: -504.473 Base-Backbone interact. energy: -2.077 local terms energy: -549.749552 where: bonds (distance) C4'-P energy: -105.121 bonds (distance) P-C4' energy: -97.951 flat angles C4'-P-C4' energy: -121.214 flat angles P-C4'-P energy: -94.848 tors. eta vs tors. theta energy: -130.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1592.729686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.729686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.729686 (E_RNA) where: Base-Base interactions energy: -1066.505 where: short stacking energy: -474.209 Base-Backbone interact. energy: 0.076 local terms energy: -526.301281 where: bonds (distance) C4'-P energy: -100.888 bonds (distance) P-C4' energy: -107.112 flat angles C4'-P-C4' energy: -123.388 flat angles P-C4'-P energy: -64.675 tors. eta vs tors. theta energy: -130.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1428.987641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.987641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.987641 (E_RNA) where: Base-Base interactions energy: -959.805 where: short stacking energy: -402.567 Base-Backbone interact. energy: 7.123 local terms energy: -476.305509 where: bonds (distance) C4'-P energy: -89.459 bonds (distance) P-C4' energy: -101.980 flat angles C4'-P-C4' energy: -122.241 flat angles P-C4'-P energy: -64.089 tors. eta vs tors. theta energy: -98.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1249.914246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.914246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.914246 (E_RNA) where: Base-Base interactions energy: -822.506 where: short stacking energy: -355.823 Base-Backbone interact. energy: -2.259 local terms energy: -425.149396 where: bonds (distance) C4'-P energy: -104.101 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -110.884 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -84.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1130.334644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.334644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.334644 (E_RNA) where: Base-Base interactions energy: -696.677 where: short stacking energy: -319.050 Base-Backbone interact. energy: 1.913 local terms energy: -435.571463 where: bonds (distance) C4'-P energy: -90.345 bonds (distance) P-C4' energy: -80.667 flat angles C4'-P-C4' energy: -121.964 flat angles P-C4'-P energy: -81.101 tors. eta vs tors. theta energy: -61.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -2333.645342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.645342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.645342 (E_RNA) where: Base-Base interactions energy: -1645.067 where: short stacking energy: -662.622 Base-Backbone interact. energy: -0.121 local terms energy: -688.457903 where: bonds (distance) C4'-P energy: -122.424 bonds (distance) P-C4' energy: -120.361 flat angles C4'-P-C4' energy: -140.212 flat angles P-C4'-P energy: -103.495 tors. eta vs tors. theta energy: -201.965 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: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2197.393332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.393332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.393332 (E_RNA) where: Base-Base interactions energy: -1534.188 where: short stacking energy: -630.555 Base-Backbone interact. energy: 1.085 local terms energy: -664.290916 where: bonds (distance) C4'-P energy: -112.893 bonds (distance) P-C4' energy: -126.346 flat angles C4'-P-C4' energy: -138.401 flat angles P-C4'-P energy: -94.320 tors. eta vs tors. theta energy: -192.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2159.725419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.725419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.725419 (E_RNA) where: Base-Base interactions energy: -1525.207 where: short stacking energy: -616.419 Base-Backbone interact. energy: -6.264 local terms energy: -628.254839 where: bonds (distance) C4'-P energy: -112.629 bonds (distance) P-C4' energy: -115.015 flat angles C4'-P-C4' energy: -126.707 flat angles P-C4'-P energy: -92.439 tors. eta vs tors. theta energy: -181.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2118.806358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.806358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.806358 (E_RNA) where: Base-Base interactions energy: -1472.552 where: short stacking energy: -610.320 Base-Backbone interact. energy: 0.933 local terms energy: -647.187448 where: bonds (distance) C4'-P energy: -115.297 bonds (distance) P-C4' energy: -112.209 flat angles C4'-P-C4' energy: -132.903 flat angles P-C4'-P energy: -101.677 tors. eta vs tors. theta energy: -185.102 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: 2 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1933.426779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.426779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.426779 (E_RNA) where: Base-Base interactions energy: -1354.031 where: short stacking energy: -515.123 Base-Backbone interact. energy: -0.917 local terms energy: -578.478282 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -122.249 flat angles C4'-P-C4' energy: -127.226 flat angles P-C4'-P energy: -81.159 tors. eta vs tors. theta energy: -142.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1773.202909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.202909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.202909 (E_RNA) where: Base-Base interactions energy: -1237.923 where: short stacking energy: -523.341 Base-Backbone interact. energy: -1.377 local terms energy: -533.902005 where: bonds (distance) C4'-P energy: -91.008 bonds (distance) P-C4' energy: -110.745 flat angles C4'-P-C4' energy: -112.847 flat angles P-C4'-P energy: -80.279 tors. eta vs tors. theta energy: -139.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1584.173771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.173771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.173771 (E_RNA) where: Base-Base interactions energy: -1049.120 where: short stacking energy: -452.876 Base-Backbone interact. energy: 1.336 local terms energy: -536.389349 where: bonds (distance) C4'-P energy: -101.286 bonds (distance) P-C4' energy: -121.215 flat angles C4'-P-C4' energy: -126.895 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -121.064 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: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1480.016119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.016119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.016119 (E_RNA) where: Base-Base interactions energy: -995.700 where: short stacking energy: -431.524 Base-Backbone interact. energy: -2.760 local terms energy: -481.556107 where: bonds (distance) C4'-P energy: -102.478 bonds (distance) P-C4' energy: -106.481 flat angles C4'-P-C4' energy: -105.492 flat angles P-C4'-P energy: -70.928 tors. eta vs tors. theta energy: -96.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1291.602628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.602628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.602628 (E_RNA) where: Base-Base interactions energy: -829.271 where: short stacking energy: -359.238 Base-Backbone interact. energy: -1.800 local terms energy: -460.532037 where: bonds (distance) C4'-P energy: -103.145 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -63.189 tors. eta vs tors. theta energy: -81.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1112.060124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.060124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.060124 (E_RNA) where: Base-Base interactions energy: -698.509 where: short stacking energy: -319.028 Base-Backbone interact. energy: 2.392 local terms energy: -415.942881 where: bonds (distance) C4'-P energy: -94.090 bonds (distance) P-C4' energy: -99.598 flat angles C4'-P-C4' energy: -98.956 flat angles P-C4'-P energy: -67.346 tors. eta vs tors. theta energy: -55.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -2348.373074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.373074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.373074 (E_RNA) where: Base-Base interactions energy: -1647.917 where: short stacking energy: -674.840 Base-Backbone interact. energy: -1.973 local terms energy: -698.483702 where: bonds (distance) C4'-P energy: -127.489 bonds (distance) P-C4' energy: -127.454 flat angles C4'-P-C4' energy: -135.533 flat angles P-C4'-P energy: -101.387 tors. eta vs tors. theta energy: -206.620 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: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2188.788912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.788912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.788912 (E_RNA) where: Base-Base interactions energy: -1522.305 where: short stacking energy: -624.445 Base-Backbone interact. energy: 0.741 local terms energy: -667.224379 where: bonds (distance) C4'-P energy: -118.585 bonds (distance) P-C4' energy: -126.656 flat angles C4'-P-C4' energy: -137.756 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -195.996 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: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2166.849249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.849249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.849249 (E_RNA) where: Base-Base interactions energy: -1497.660 where: short stacking energy: -599.418 Base-Backbone interact. energy: -0.884 local terms energy: -668.306019 where: bonds (distance) C4'-P energy: -111.476 bonds (distance) P-C4' energy: -129.666 flat angles C4'-P-C4' energy: -148.182 flat angles P-C4'-P energy: -98.596 tors. eta vs tors. theta energy: -180.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2108.596240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.596240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.596240 (E_RNA) where: Base-Base interactions energy: -1482.051 where: short stacking energy: -612.119 Base-Backbone interact. energy: -1.555 local terms energy: -624.990437 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -141.536 flat angles P-C4'-P energy: -77.215 tors. eta vs tors. theta energy: -193.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1944.607875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.607875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.607875 (E_RNA) where: Base-Base interactions energy: -1375.182 where: short stacking energy: -548.349 Base-Backbone interact. energy: 3.140 local terms energy: -572.565565 where: bonds (distance) C4'-P energy: -113.719 bonds (distance) P-C4' energy: -114.673 flat angles C4'-P-C4' energy: -120.807 flat angles P-C4'-P energy: -77.679 tors. eta vs tors. theta energy: -145.688 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: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1755.463746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.463746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.463746 (E_RNA) where: Base-Base interactions energy: -1175.858 where: short stacking energy: -491.636 Base-Backbone interact. energy: 0.080 local terms energy: -579.685463 where: bonds (distance) C4'-P energy: -107.152 bonds (distance) P-C4' energy: -125.206 flat angles C4'-P-C4' energy: -133.388 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -145.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1607.328435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.328435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.328435 (E_RNA) where: Base-Base interactions energy: -1059.703 where: short stacking energy: -456.284 Base-Backbone interact. energy: -0.626 local terms energy: -546.999459 where: bonds (distance) C4'-P energy: -104.791 bonds (distance) P-C4' energy: -112.656 flat angles C4'-P-C4' energy: -114.345 flat angles P-C4'-P energy: -77.509 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: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1485.419132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.419132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.419132 (E_RNA) where: Base-Base interactions energy: -1016.843 where: short stacking energy: -405.573 Base-Backbone interact. energy: 2.606 local terms energy: -471.181870 where: bonds (distance) C4'-P energy: -103.694 bonds (distance) P-C4' energy: -99.731 flat angles C4'-P-C4' energy: -114.059 flat angles P-C4'-P energy: -64.646 tors. eta vs tors. theta energy: -89.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1257.746490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.746490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.746490 (E_RNA) where: Base-Base interactions energy: -806.246 where: short stacking energy: -339.605 Base-Backbone interact. energy: 2.153 local terms energy: -453.653507 where: bonds (distance) C4'-P energy: -95.640 bonds (distance) P-C4' energy: -103.638 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -50.021 tors. eta vs tors. theta energy: -91.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1146.257261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.257261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.257261 (E_RNA) where: Base-Base interactions energy: -730.964 where: short stacking energy: -314.757 Base-Backbone interact. energy: 1.905 local terms energy: -417.198554 where: bonds (distance) C4'-P energy: -107.924 bonds (distance) P-C4' energy: -86.986 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -56.255 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: 1, replica: 8 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -2344.914366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.914366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.914366 (E_RNA) where: Base-Base interactions energy: -1655.611 where: short stacking energy: -652.222 Base-Backbone interact. energy: -3.743 local terms energy: -685.560353 where: bonds (distance) C4'-P energy: -125.367 bonds (distance) P-C4' energy: -130.932 flat angles C4'-P-C4' energy: -142.086 flat angles P-C4'-P energy: -89.340 tors. eta vs tors. theta energy: -197.836 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: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2168.025988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.025988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.025988 (E_RNA) where: Base-Base interactions energy: -1513.427 where: short stacking energy: -636.297 Base-Backbone interact. energy: -0.960 local terms energy: -653.638833 where: bonds (distance) C4'-P energy: -118.145 bonds (distance) P-C4' energy: -126.960 flat angles C4'-P-C4' energy: -137.729 flat angles P-C4'-P energy: -86.208 tors. eta vs tors. theta energy: -184.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2216.247639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.247639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.247639 (E_RNA) where: Base-Base interactions energy: -1565.472 where: short stacking energy: -627.346 Base-Backbone interact. energy: -3.657 local terms energy: -647.119348 where: bonds (distance) C4'-P energy: -113.542 bonds (distance) P-C4' energy: -117.847 flat angles C4'-P-C4' energy: -130.856 flat angles P-C4'-P energy: -93.057 tors. eta vs tors. theta energy: -191.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2134.515102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.515102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.515102 (E_RNA) where: Base-Base interactions energy: -1472.973 where: short stacking energy: -607.396 Base-Backbone interact. energy: 0.021 local terms energy: -661.563001 where: bonds (distance) C4'-P energy: -124.763 bonds (distance) P-C4' energy: -107.156 flat angles C4'-P-C4' energy: -132.995 flat angles P-C4'-P energy: -100.191 tors. eta vs tors. theta energy: -196.458 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: 5, replica: 2 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1948.218149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.218149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.218149 (E_RNA) where: Base-Base interactions energy: -1361.805 where: short stacking energy: -531.782 Base-Backbone interact. energy: -2.905 local terms energy: -583.508085 where: bonds (distance) C4'-P energy: -107.107 bonds (distance) P-C4' energy: -113.043 flat angles C4'-P-C4' energy: -119.398 flat angles P-C4'-P energy: -85.167 tors. eta vs tors. theta energy: -158.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1727.881235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.881235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.881235 (E_RNA) where: Base-Base interactions energy: -1171.814 where: short stacking energy: -491.237 Base-Backbone interact. energy: -1.838 local terms energy: -554.229236 where: bonds (distance) C4'-P energy: -101.279 bonds (distance) P-C4' energy: -121.104 flat angles C4'-P-C4' energy: -114.289 flat angles P-C4'-P energy: -75.025 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: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1610.251925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.251925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.251925 (E_RNA) where: Base-Base interactions energy: -1078.358 where: short stacking energy: -466.764 Base-Backbone interact. energy: -0.766 local terms energy: -531.127240 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -110.216 flat angles C4'-P-C4' energy: -127.186 flat angles P-C4'-P energy: -69.763 tors. eta vs tors. theta energy: -125.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1457.174204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.174204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.174204 (E_RNA) where: Base-Base interactions energy: -1008.419 where: short stacking energy: -428.381 Base-Backbone interact. energy: -0.756 local terms energy: -447.998882 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -94.313 flat angles C4'-P-C4' energy: -106.321 flat angles P-C4'-P energy: -71.163 tors. eta vs tors. theta energy: -92.224 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: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1271.519525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.519525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.519525 (E_RNA) where: Base-Base interactions energy: -810.842 where: short stacking energy: -348.325 Base-Backbone interact. energy: 2.332 local terms energy: -463.009957 where: bonds (distance) C4'-P energy: -103.897 bonds (distance) P-C4' energy: -111.554 flat angles C4'-P-C4' energy: -100.759 flat angles P-C4'-P energy: -76.068 tors. eta vs tors. theta energy: -70.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1119.420948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.420948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.420948 (E_RNA) where: Base-Base interactions energy: -725.288 where: short stacking energy: -321.349 Base-Backbone interact. energy: -1.323 local terms energy: -392.809805 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -106.223 flat angles C4'-P-C4' energy: -93.770 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -55.958 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: 8 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -2335.771321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.771321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.771321 (E_RNA) where: Base-Base interactions energy: -1640.557 where: short stacking energy: -666.210 Base-Backbone interact. energy: -2.436 local terms energy: -692.778073 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -142.126 flat angles P-C4'-P energy: -105.840 tors. eta vs tors. theta energy: -201.254 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: 10 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2246.103234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.103234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.103234 (E_RNA) where: Base-Base interactions energy: -1576.343 where: short stacking energy: -633.988 Base-Backbone interact. energy: -2.783 local terms energy: -666.976963 where: bonds (distance) C4'-P energy: -120.357 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -144.807 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -196.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2157.467928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.467928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.467928 (E_RNA) where: Base-Base interactions energy: -1511.323 where: short stacking energy: -611.026 Base-Backbone interact. energy: -1.868 local terms energy: -644.276428 where: bonds (distance) C4'-P energy: -120.328 bonds (distance) P-C4' energy: -111.528 flat angles C4'-P-C4' energy: -140.306 flat angles P-C4'-P energy: -88.076 tors. eta vs tors. theta energy: -184.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2127.516617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.516617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.516617 (E_RNA) where: Base-Base interactions energy: -1482.100 where: short stacking energy: -592.823 Base-Backbone interact. energy: 0.966 local terms energy: -646.382271 where: bonds (distance) C4'-P energy: -119.311 bonds (distance) P-C4' energy: -111.391 flat angles C4'-P-C4' energy: -131.230 flat angles P-C4'-P energy: -95.340 tors. eta vs tors. theta energy: -189.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1914.088341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.088341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.088341 (E_RNA) where: Base-Base interactions energy: -1341.213 where: short stacking energy: -527.930 Base-Backbone interact. energy: 1.570 local terms energy: -574.445217 where: bonds (distance) C4'-P energy: -116.953 bonds (distance) P-C4' energy: -106.258 flat angles C4'-P-C4' energy: -129.023 flat angles P-C4'-P energy: -74.273 tors. eta vs tors. theta energy: -147.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1722.293944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.293944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.293944 (E_RNA) where: Base-Base interactions energy: -1180.786 where: short stacking energy: -469.843 Base-Backbone interact. energy: -0.162 local terms energy: -541.345547 where: bonds (distance) C4'-P energy: -111.331 bonds (distance) P-C4' energy: -104.687 flat angles C4'-P-C4' energy: -123.797 flat angles P-C4'-P energy: -76.811 tors. eta vs tors. theta energy: -124.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1598.877097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.877097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.877097 (E_RNA) where: Base-Base interactions energy: -1078.417 where: short stacking energy: -453.427 Base-Backbone interact. energy: 0.414 local terms energy: -520.874560 where: bonds (distance) C4'-P energy: -98.060 bonds (distance) P-C4' energy: -118.057 flat angles C4'-P-C4' energy: -109.971 flat angles P-C4'-P energy: -79.845 tors. eta vs tors. theta energy: -114.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1434.839703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.839703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.839703 (E_RNA) where: Base-Base interactions energy: -956.486 where: short stacking energy: -419.321 Base-Backbone interact. energy: -0.395 local terms energy: -477.958877 where: bonds (distance) C4'-P energy: -91.956 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -74.077 tors. eta vs tors. theta energy: -98.387 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: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1245.946360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.946360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.946360 (E_RNA) where: Base-Base interactions energy: -797.269 where: short stacking energy: -348.422 Base-Backbone interact. energy: -2.657 local terms energy: -446.020030 where: bonds (distance) C4'-P energy: -98.636 bonds (distance) P-C4' energy: -103.672 flat angles C4'-P-C4' energy: -119.349 flat angles P-C4'-P energy: -51.770 tors. eta vs tors. theta energy: -72.593 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: 317 Temperature: 1.350000 Total energy: -1085.730125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.730125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.730125 (E_RNA) where: Base-Base interactions energy: -650.406 where: short stacking energy: -293.164 Base-Backbone interact. energy: 5.504 local terms energy: -440.828503 where: bonds (distance) C4'-P energy: -109.622 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -101.668 flat angles P-C4'-P energy: -62.473 tors. eta vs tors. theta energy: -60.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -2348.458938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.458938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.458938 (E_RNA) where: Base-Base interactions energy: -1638.960 where: short stacking energy: -665.468 Base-Backbone interact. energy: -2.555 local terms energy: -706.944297 where: bonds (distance) C4'-P energy: -122.635 bonds (distance) P-C4' energy: -139.109 flat angles C4'-P-C4' energy: -134.684 flat angles P-C4'-P energy: -98.054 tors. eta vs tors. theta energy: -212.462 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: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2237.642174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.642174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.642174 (E_RNA) where: Base-Base interactions energy: -1577.797 where: short stacking energy: -622.383 Base-Backbone interact. energy: -3.653 local terms energy: -656.191522 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -113.551 flat angles C4'-P-C4' energy: -142.120 flat angles P-C4'-P energy: -99.313 tors. eta vs tors. theta energy: -187.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2137.490859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.490859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.490859 (E_RNA) where: Base-Base interactions energy: -1487.457 where: short stacking energy: -598.888 Base-Backbone interact. energy: -0.405 local terms energy: -649.628547 where: bonds (distance) C4'-P energy: -107.539 bonds (distance) P-C4' energy: -121.798 flat angles C4'-P-C4' energy: -151.117 flat angles P-C4'-P energy: -90.365 tors. eta vs tors. theta energy: -178.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2114.402783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.402783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.402783 (E_RNA) where: Base-Base interactions energy: -1458.339 where: short stacking energy: -606.441 Base-Backbone interact. energy: -2.938 local terms energy: -653.126152 where: bonds (distance) C4'-P energy: -110.303 bonds (distance) P-C4' energy: -123.639 flat angles C4'-P-C4' energy: -133.451 flat angles P-C4'-P energy: -89.872 tors. eta vs tors. theta energy: -195.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1860.526909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.526909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.526909 (E_RNA) where: Base-Base interactions energy: -1295.178 where: short stacking energy: -512.431 Base-Backbone interact. energy: -0.558 local terms energy: -564.790322 where: bonds (distance) C4'-P energy: -122.700 bonds (distance) P-C4' energy: -103.853 flat angles C4'-P-C4' energy: -125.548 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -145.201 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: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1674.361416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.361416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.361416 (E_RNA) where: Base-Base interactions energy: -1148.185 where: short stacking energy: -480.080 Base-Backbone interact. energy: -2.324 local terms energy: -523.852241 where: bonds (distance) C4'-P energy: -118.587 bonds (distance) P-C4' energy: -102.215 flat angles C4'-P-C4' energy: -87.747 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -127.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1601.654752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.654752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.654752 (E_RNA) where: Base-Base interactions energy: -1087.441 where: short stacking energy: -471.552 Base-Backbone interact. energy: -2.350 local terms energy: -511.863041 where: bonds (distance) C4'-P energy: -103.432 bonds (distance) P-C4' energy: -104.628 flat angles C4'-P-C4' energy: -108.092 flat angles P-C4'-P energy: -68.390 tors. eta vs tors. theta energy: -127.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1425.384841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.384841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.384841 (E_RNA) where: Base-Base interactions energy: -935.193 where: short stacking energy: -410.578 Base-Backbone interact. energy: 5.014 local terms energy: -495.206105 where: bonds (distance) C4'-P energy: -113.475 bonds (distance) P-C4' energy: -87.431 flat angles C4'-P-C4' energy: -118.343 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: -105.551 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: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1213.846076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.846076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.846076 (E_RNA) where: Base-Base interactions energy: -770.512 where: short stacking energy: -352.340 Base-Backbone interact. energy: -0.105 local terms energy: -443.229498 where: bonds (distance) C4'-P energy: -107.156 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -105.608 flat angles P-C4'-P energy: -60.063 tors. eta vs tors. theta energy: -80.991 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: 318 Temperature: 1.350000 Total energy: -1076.090252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.090252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.090252 (E_RNA) where: Base-Base interactions energy: -687.329 where: short stacking energy: -301.748 Base-Backbone interact. energy: -2.050 local terms energy: -386.710821 where: bonds (distance) C4'-P energy: -85.214 bonds (distance) P-C4' energy: -107.867 flat angles C4'-P-C4' energy: -87.023 flat angles P-C4'-P energy: -54.746 tors. eta vs tors. theta energy: -51.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -2331.426009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.426009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.426009 (E_RNA) where: Base-Base interactions energy: -1650.711 where: short stacking energy: -670.911 Base-Backbone interact. energy: 2.164 local terms energy: -682.878110 where: bonds (distance) C4'-P energy: -106.410 bonds (distance) P-C4' energy: -122.616 flat angles C4'-P-C4' energy: -142.683 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -208.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -2242.859515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.859515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.859515 (E_RNA) where: Base-Base interactions energy: -1584.082 where: short stacking energy: -625.572 Base-Backbone interact. energy: -0.130 local terms energy: -658.647381 where: bonds (distance) C4'-P energy: -106.300 bonds (distance) P-C4' energy: -123.418 flat angles C4'-P-C4' energy: -146.952 flat angles P-C4'-P energy: -96.587 tors. eta vs tors. theta energy: -185.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2209.980157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.980157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.980157 (E_RNA) where: Base-Base interactions energy: -1557.802 where: short stacking energy: -636.480 Base-Backbone interact. energy: -0.602 local terms energy: -651.575868 where: bonds (distance) C4'-P energy: -101.799 bonds (distance) P-C4' energy: -116.556 flat angles C4'-P-C4' energy: -139.614 flat angles P-C4'-P energy: -102.672 tors. eta vs tors. theta energy: -190.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2081.286419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.286419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.286419 (E_RNA) where: Base-Base interactions energy: -1472.032 where: short stacking energy: -617.246 Base-Backbone interact. energy: -1.091 local terms energy: -608.163611 where: bonds (distance) C4'-P energy: -103.334 bonds (distance) P-C4' energy: -102.436 flat angles C4'-P-C4' energy: -133.089 flat angles P-C4'-P energy: -86.363 tors. eta vs tors. theta energy: -182.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1880.814306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.814306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.814306 (E_RNA) where: Base-Base interactions energy: -1327.852 where: short stacking energy: -498.124 Base-Backbone interact. energy: -0.925 local terms energy: -552.037476 where: bonds (distance) C4'-P energy: -117.663 bonds (distance) P-C4' energy: -111.734 flat angles C4'-P-C4' energy: -113.262 flat angles P-C4'-P energy: -67.506 tors. eta vs tors. theta energy: -141.872 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: 319 Temperature: 1.150000 Total energy: -1700.493717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.493717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.493717 (E_RNA) where: Base-Base interactions energy: -1149.201 where: short stacking energy: -474.291 Base-Backbone interact. energy: -2.109 local terms energy: -549.183559 where: bonds (distance) C4'-P energy: -112.269 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -121.877 flat angles P-C4'-P energy: -88.905 tors. eta vs tors. theta energy: -123.303 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: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1566.729944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.729944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.729944 (E_RNA) where: Base-Base interactions energy: -1039.815 where: short stacking energy: -456.140 Base-Backbone interact. energy: -2.251 local terms energy: -524.663336 where: bonds (distance) C4'-P energy: -98.491 bonds (distance) P-C4' energy: -111.775 flat angles C4'-P-C4' energy: -124.827 flat angles P-C4'-P energy: -71.354 tors. eta vs tors. theta energy: -118.217 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1457.841389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.841389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.841389 (E_RNA) where: Base-Base interactions energy: -948.390 where: short stacking energy: -406.082 Base-Backbone interact. energy: 1.902 local terms energy: -511.352891 where: bonds (distance) C4'-P energy: -110.306 bonds (distance) P-C4' energy: -120.578 flat angles C4'-P-C4' energy: -93.593 flat angles P-C4'-P energy: -80.292 tors. eta vs tors. theta energy: -106.585 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: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1186.719557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.719557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.719557 (E_RNA) where: Base-Base interactions energy: -760.369 where: short stacking energy: -334.135 Base-Backbone interact. energy: 4.819 local terms energy: -431.169514 where: bonds (distance) C4'-P energy: -76.062 bonds (distance) P-C4' energy: -106.312 flat angles C4'-P-C4' energy: -104.771 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -82.425 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: 319 Temperature: 1.350000 Total energy: -1135.604912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.604912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.604912 (E_RNA) where: Base-Base interactions energy: -761.329 where: short stacking energy: -332.656 Base-Backbone interact. energy: 1.777 local terms energy: -376.052773 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -73.802 flat angles C4'-P-C4' energy: -85.047 flat angles P-C4'-P energy: -63.709 tors. eta vs tors. theta energy: -55.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -2341.111581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.111581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.111581 (E_RNA) where: Base-Base interactions energy: -1639.184 where: short stacking energy: -650.217 Base-Backbone interact. energy: -3.326 local terms energy: -698.600686 where: bonds (distance) C4'-P energy: -125.764 bonds (distance) P-C4' energy: -129.848 flat angles C4'-P-C4' energy: -142.693 flat angles P-C4'-P energy: -90.628 tors. eta vs tors. theta energy: -209.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2254.619972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.619972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.619972 (E_RNA) where: Base-Base interactions energy: -1573.556 where: short stacking energy: -635.628 Base-Backbone interact. energy: -6.426 local terms energy: -674.637600 where: bonds (distance) C4'-P energy: -121.831 bonds (distance) P-C4' energy: -122.582 flat angles C4'-P-C4' energy: -144.353 flat angles P-C4'-P energy: -87.269 tors. eta vs tors. theta energy: -198.602 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: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2214.214934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.214934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.214934 (E_RNA) where: Base-Base interactions energy: -1556.004 where: short stacking energy: -642.382 Base-Backbone interact. energy: 3.838 local terms energy: -662.049188 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -117.515 flat angles C4'-P-C4' energy: -134.935 flat angles P-C4'-P energy: -96.824 tors. eta vs tors. theta energy: -198.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2111.238001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.238001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.238001 (E_RNA) where: Base-Base interactions energy: -1466.007 where: short stacking energy: -581.268 Base-Backbone interact. energy: 0.692 local terms energy: -645.922952 where: bonds (distance) C4'-P energy: -113.127 bonds (distance) P-C4' energy: -123.208 flat angles C4'-P-C4' energy: -127.422 flat angles P-C4'-P energy: -98.940 tors. eta vs tors. theta energy: -183.226 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: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1868.723025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.723025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.723025 (E_RNA) where: Base-Base interactions energy: -1293.723 where: short stacking energy: -505.847 Base-Backbone interact. energy: -4.197 local terms energy: -570.802337 where: bonds (distance) C4'-P energy: -105.828 bonds (distance) P-C4' energy: -108.622 flat angles C4'-P-C4' energy: -126.005 flat angles P-C4'-P energy: -82.431 tors. eta vs tors. theta energy: -147.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1714.762527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.762527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.762527 (E_RNA) where: Base-Base interactions energy: -1152.109 where: short stacking energy: -479.229 Base-Backbone interact. energy: -0.977 local terms energy: -561.676378 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -116.321 flat angles C4'-P-C4' energy: -132.676 flat angles P-C4'-P energy: -86.559 tors. eta vs tors. theta energy: -123.510 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: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1576.153792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.153792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.153792 (E_RNA) where: Base-Base interactions energy: -1059.714 where: short stacking energy: -467.241 Base-Backbone interact. energy: 4.190 local terms energy: -520.630121 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -114.715 flat angles P-C4'-P energy: -80.943 tors. eta vs tors. theta energy: -125.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1466.469035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.469035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.469035 (E_RNA) where: Base-Base interactions energy: -990.734 where: short stacking energy: -408.813 Base-Backbone interact. energy: 0.042 local terms energy: -475.777091 where: bonds (distance) C4'-P energy: -90.630 bonds (distance) P-C4' energy: -110.645 flat angles C4'-P-C4' energy: -111.739 flat angles P-C4'-P energy: -65.458 tors. eta vs tors. theta energy: -97.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1190.531115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.531115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.531115 (E_RNA) where: Base-Base interactions energy: -766.892 where: short stacking energy: -342.083 Base-Backbone interact. energy: -1.060 local terms energy: -422.578897 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -99.150 flat angles C4'-P-C4' energy: -107.651 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -62.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1123.522559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.522559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.522559 (E_RNA) where: Base-Base interactions energy: -702.966 where: short stacking energy: -332.198 Base-Backbone interact. energy: 0.805 local terms energy: -421.361560 where: bonds (distance) C4'-P energy: -94.905 bonds (distance) P-C4' energy: -100.622 flat angles C4'-P-C4' energy: -87.709 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -65.222 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: 8 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -2318.486488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.486488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.486488 (E_RNA) where: Base-Base interactions energy: -1611.672 where: short stacking energy: -647.300 Base-Backbone interact. energy: -1.640 local terms energy: -705.173808 where: bonds (distance) C4'-P energy: -129.785 bonds (distance) P-C4' energy: -126.957 flat angles C4'-P-C4' energy: -143.598 flat angles P-C4'-P energy: -105.398 tors. eta vs tors. theta energy: -199.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2229.475257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.475257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.475257 (E_RNA) where: Base-Base interactions energy: -1558.179 where: short stacking energy: -625.556 Base-Backbone interact. energy: -4.233 local terms energy: -667.062985 where: bonds (distance) C4'-P energy: -124.526 bonds (distance) P-C4' energy: -124.311 flat angles C4'-P-C4' energy: -122.884 flat angles P-C4'-P energy: -96.560 tors. eta vs tors. theta energy: -198.782 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: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2170.760707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.760707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.760707 (E_RNA) where: Base-Base interactions energy: -1502.914 where: short stacking energy: -634.734 Base-Backbone interact. energy: -0.650 local terms energy: -667.196914 where: bonds (distance) C4'-P energy: -118.178 bonds (distance) P-C4' energy: -119.227 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -198.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2123.304965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.304965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.304965 (E_RNA) where: Base-Base interactions energy: -1462.918 where: short stacking energy: -599.674 Base-Backbone interact. energy: -1.253 local terms energy: -659.134329 where: bonds (distance) C4'-P energy: -121.644 bonds (distance) P-C4' energy: -117.117 flat angles C4'-P-C4' energy: -146.020 flat angles P-C4'-P energy: -83.985 tors. eta vs tors. theta energy: -190.368 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: 2 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1864.641913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.641913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.641913 (E_RNA) where: Base-Base interactions energy: -1327.352 where: short stacking energy: -542.871 Base-Backbone interact. energy: 1.828 local terms energy: -539.118688 where: bonds (distance) C4'-P energy: -106.630 bonds (distance) P-C4' energy: -80.809 flat angles C4'-P-C4' energy: -113.253 flat angles P-C4'-P energy: -78.484 tors. eta vs tors. theta energy: -159.943 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: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1674.422846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.422846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.422846 (E_RNA) where: Base-Base interactions energy: -1122.511 where: short stacking energy: -478.707 Base-Backbone interact. energy: -1.115 local terms energy: -550.797252 where: bonds (distance) C4'-P energy: -113.474 bonds (distance) P-C4' energy: -119.409 flat angles C4'-P-C4' energy: -113.476 flat angles P-C4'-P energy: -78.703 tors. eta vs tors. theta energy: -125.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1571.459339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.459339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.459339 (E_RNA) where: Base-Base interactions energy: -1035.267 where: short stacking energy: -447.581 Base-Backbone interact. energy: -1.912 local terms energy: -534.280618 where: bonds (distance) C4'-P energy: -87.021 bonds (distance) P-C4' energy: -116.523 flat angles C4'-P-C4' energy: -118.819 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -126.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1503.876318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.876318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.876318 (E_RNA) where: Base-Base interactions energy: -989.661 where: short stacking energy: -421.713 Base-Backbone interact. energy: -1.928 local terms energy: -512.287157 where: bonds (distance) C4'-P energy: -96.531 bonds (distance) P-C4' energy: -120.613 flat angles C4'-P-C4' energy: -107.135 flat angles P-C4'-P energy: -84.634 tors. eta vs tors. theta energy: -103.374 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: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1213.848945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.848945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.848945 (E_RNA) where: Base-Base interactions energy: -772.576 where: short stacking energy: -347.446 Base-Backbone interact. energy: 3.164 local terms energy: -444.437090 where: bonds (distance) C4'-P energy: -85.788 bonds (distance) P-C4' energy: -120.709 flat angles C4'-P-C4' energy: -99.173 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -77.311 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: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1093.387936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.387936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.387936 (E_RNA) where: Base-Base interactions energy: -694.998 where: short stacking energy: -294.350 Base-Backbone interact. energy: -1.806 local terms energy: -396.584112 where: bonds (distance) C4'-P energy: -83.040 bonds (distance) P-C4' energy: -114.570 flat angles C4'-P-C4' energy: -102.181 flat angles P-C4'-P energy: -54.448 tors. eta vs tors. theta energy: -42.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -2346.165634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.165634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.165634 (E_RNA) where: Base-Base interactions energy: -1645.142 where: short stacking energy: -675.226 Base-Backbone interact. energy: -2.809 local terms energy: -698.215212 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -114.284 flat angles C4'-P-C4' energy: -147.073 flat angles P-C4'-P energy: -104.789 tors. eta vs tors. theta energy: -202.316 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: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2232.288769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.288769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.288769 (E_RNA) where: Base-Base interactions energy: -1563.810 where: short stacking energy: -626.553 Base-Backbone interact. energy: -5.710 local terms energy: -662.768516 where: bonds (distance) C4'-P energy: -116.573 bonds (distance) P-C4' energy: -127.326 flat angles C4'-P-C4' energy: -132.558 flat angles P-C4'-P energy: -90.378 tors. eta vs tors. theta energy: -195.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2163.340165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.340165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.340165 (E_RNA) where: Base-Base interactions energy: -1531.241 where: short stacking energy: -627.212 Base-Backbone interact. energy: 2.100 local terms energy: -634.198987 where: bonds (distance) C4'-P energy: -108.312 bonds (distance) P-C4' energy: -111.618 flat angles C4'-P-C4' energy: -139.249 flat angles P-C4'-P energy: -84.213 tors. eta vs tors. theta energy: -190.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2100.085866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.085866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.085866 (E_RNA) where: Base-Base interactions energy: -1439.625 where: short stacking energy: -603.526 Base-Backbone interact. energy: -1.239 local terms energy: -659.221590 where: bonds (distance) C4'-P energy: -119.083 bonds (distance) P-C4' energy: -122.693 flat angles C4'-P-C4' energy: -141.789 flat angles P-C4'-P energy: -91.727 tors. eta vs tors. theta energy: -183.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1879.840145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.840145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.840145 (E_RNA) where: Base-Base interactions energy: -1283.896 where: short stacking energy: -515.499 Base-Backbone interact. energy: -4.440 local terms energy: -591.504560 where: bonds (distance) C4'-P energy: -105.290 bonds (distance) P-C4' energy: -122.989 flat angles C4'-P-C4' energy: -128.070 flat angles P-C4'-P energy: -94.301 tors. eta vs tors. theta energy: -140.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1762.421192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.421192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.421192 (E_RNA) where: Base-Base interactions energy: -1211.271 where: short stacking energy: -474.930 Base-Backbone interact. energy: -1.978 local terms energy: -549.172505 where: bonds (distance) C4'-P energy: -117.113 bonds (distance) P-C4' energy: -105.658 flat angles C4'-P-C4' energy: -110.887 flat angles P-C4'-P energy: -83.511 tors. eta vs tors. theta energy: -132.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1568.017152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.017152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.017152 (E_RNA) where: Base-Base interactions energy: -1035.831 where: short stacking energy: -446.459 Base-Backbone interact. energy: -2.704 local terms energy: -529.482562 where: bonds (distance) C4'-P energy: -105.898 bonds (distance) P-C4' energy: -103.511 flat angles C4'-P-C4' energy: -117.853 flat angles P-C4'-P energy: -84.589 tors. eta vs tors. theta energy: -117.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1555.422537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.422537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.422537 (E_RNA) where: Base-Base interactions energy: -1056.728 where: short stacking energy: -456.014 Base-Backbone interact. energy: 0.441 local terms energy: -499.135344 where: bonds (distance) C4'-P energy: -106.867 bonds (distance) P-C4' energy: -95.324 flat angles C4'-P-C4' energy: -114.836 flat angles P-C4'-P energy: -75.346 tors. eta vs tors. theta energy: -106.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1215.852107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.852107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.852107 (E_RNA) where: Base-Base interactions energy: -746.800 where: short stacking energy: -342.418 Base-Backbone interact. energy: 1.184 local terms energy: -470.236523 where: bonds (distance) C4'-P energy: -112.735 bonds (distance) P-C4' energy: -112.218 flat angles C4'-P-C4' energy: -106.078 flat angles P-C4'-P energy: -56.285 tors. eta vs tors. theta energy: -82.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1111.139500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.139500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.139500 (E_RNA) where: Base-Base interactions energy: -699.998 where: short stacking energy: -311.994 Base-Backbone interact. energy: 1.088 local terms energy: -412.229768 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -108.523 flat angles C4'-P-C4' energy: -101.549 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -56.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -2302.870152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.870152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.870152 (E_RNA) where: Base-Base interactions energy: -1637.633 where: short stacking energy: -668.140 Base-Backbone interact. energy: -3.333 local terms energy: -661.904024 where: bonds (distance) C4'-P energy: -98.388 bonds (distance) P-C4' energy: -124.562 flat angles C4'-P-C4' energy: -133.489 flat angles P-C4'-P energy: -100.702 tors. eta vs tors. theta energy: -204.764 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2208.139323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.139323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.139323 (E_RNA) where: Base-Base interactions energy: -1548.254 where: short stacking energy: -644.273 Base-Backbone interact. energy: -3.372 local terms energy: -656.514008 where: bonds (distance) C4'-P energy: -111.541 bonds (distance) P-C4' energy: -125.781 flat angles C4'-P-C4' energy: -141.045 flat angles P-C4'-P energy: -94.792 tors. eta vs tors. theta energy: -183.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2211.779150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.779150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.779150 (E_RNA) where: Base-Base interactions energy: -1522.925 where: short stacking energy: -627.749 Base-Backbone interact. energy: -4.218 local terms energy: -684.636228 where: bonds (distance) C4'-P energy: -132.676 bonds (distance) P-C4' energy: -125.630 flat angles C4'-P-C4' energy: -131.327 flat angles P-C4'-P energy: -100.284 tors. eta vs tors. theta energy: -194.720 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: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2090.942661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.942661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.942661 (E_RNA) where: Base-Base interactions energy: -1476.051 where: short stacking energy: -611.258 Base-Backbone interact. energy: -1.194 local terms energy: -613.697523 where: bonds (distance) C4'-P energy: -107.875 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -133.367 flat angles P-C4'-P energy: -78.062 tors. eta vs tors. theta energy: -182.946 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: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1930.267151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.267151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.267151 (E_RNA) where: Base-Base interactions energy: -1340.075 where: short stacking energy: -525.374 Base-Backbone interact. energy: -2.090 local terms energy: -588.102950 where: bonds (distance) C4'-P energy: -99.951 bonds (distance) P-C4' energy: -124.112 flat angles C4'-P-C4' energy: -124.275 flat angles P-C4'-P energy: -81.450 tors. eta vs tors. theta energy: -158.315 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1779.547896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.547896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.547896 (E_RNA) where: Base-Base interactions energy: -1220.124 where: short stacking energy: -496.701 Base-Backbone interact. energy: -3.142 local terms energy: -556.282146 where: bonds (distance) C4'-P energy: -105.276 bonds (distance) P-C4' energy: -104.684 flat angles C4'-P-C4' energy: -136.305 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -135.939 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: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1594.864581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.864581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.864581 (E_RNA) where: Base-Base interactions energy: -1096.303 where: short stacking energy: -458.596 Base-Backbone interact. energy: -0.069 local terms energy: -498.492563 where: bonds (distance) C4'-P energy: -88.544 bonds (distance) P-C4' energy: -106.088 flat angles C4'-P-C4' energy: -121.364 flat angles P-C4'-P energy: -69.455 tors. eta vs tors. theta energy: -113.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1576.578152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.578152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.578152 (E_RNA) where: Base-Base interactions energy: -1069.465 where: short stacking energy: -455.410 Base-Backbone interact. energy: 2.548 local terms energy: -509.660639 where: bonds (distance) C4'-P energy: -97.426 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -70.938 tors. eta vs tors. theta energy: -129.214 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1239.091283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.091283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.091283 (E_RNA) where: Base-Base interactions energy: -777.251 where: short stacking energy: -349.811 Base-Backbone interact. energy: -1.073 local terms energy: -460.766387 where: bonds (distance) C4'-P energy: -112.876 bonds (distance) P-C4' energy: -107.813 flat angles C4'-P-C4' energy: -102.622 flat angles P-C4'-P energy: -53.973 tors. eta vs tors. theta energy: -83.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1037.292032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.292032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.292032 (E_RNA) where: Base-Base interactions energy: -622.247 where: short stacking energy: -282.537 Base-Backbone interact. energy: 0.511 local terms energy: -415.555513 where: bonds (distance) C4'-P energy: -107.871 bonds (distance) P-C4' energy: -112.147 flat angles C4'-P-C4' energy: -98.180 flat angles P-C4'-P energy: -55.401 tors. eta vs tors. theta energy: -41.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -2308.085961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.085961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.085961 (E_RNA) where: Base-Base interactions energy: -1616.011 where: short stacking energy: -651.902 Base-Backbone interact. energy: -3.105 local terms energy: -688.969771 where: bonds (distance) C4'-P energy: -116.655 bonds (distance) P-C4' energy: -125.608 flat angles C4'-P-C4' energy: -139.715 flat angles P-C4'-P energy: -102.813 tors. eta vs tors. theta energy: -204.179 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: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2195.634381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.634381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.634381 (E_RNA) where: Base-Base interactions energy: -1531.285 where: short stacking energy: -622.842 Base-Backbone interact. energy: -1.013 local terms energy: -663.336587 where: bonds (distance) C4'-P energy: -124.569 bonds (distance) P-C4' energy: -110.563 flat angles C4'-P-C4' energy: -142.015 flat angles P-C4'-P energy: -101.608 tors. eta vs tors. theta energy: -184.583 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: 3, replica: 10 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2182.497732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.497732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.497732 (E_RNA) where: Base-Base interactions energy: -1520.365 where: short stacking energy: -591.895 Base-Backbone interact. energy: -5.245 local terms energy: -656.887007 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -116.830 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -87.468 tors. eta vs tors. theta energy: -185.521 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: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2092.922625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.922625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.922625 (E_RNA) where: Base-Base interactions energy: -1456.076 where: short stacking energy: -620.392 Base-Backbone interact. energy: 2.172 local terms energy: -639.018186 where: bonds (distance) C4'-P energy: -103.688 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -138.705 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -201.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1985.336055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.336055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.336055 (E_RNA) where: Base-Base interactions energy: -1398.672 where: short stacking energy: -575.878 Base-Backbone interact. energy: 1.543 local terms energy: -588.207438 where: bonds (distance) C4'-P energy: -97.510 bonds (distance) P-C4' energy: -113.052 flat angles C4'-P-C4' energy: -129.774 flat angles P-C4'-P energy: -86.492 tors. eta vs tors. theta energy: -161.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1763.688244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.688244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.688244 (E_RNA) where: Base-Base interactions energy: -1205.000 where: short stacking energy: -496.600 Base-Backbone interact. energy: -0.613 local terms energy: -558.074733 where: bonds (distance) C4'-P energy: -113.770 bonds (distance) P-C4' energy: -99.390 flat angles C4'-P-C4' energy: -118.415 flat angles P-C4'-P energy: -82.884 tors. eta vs tors. theta energy: -143.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1623.755378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.755378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.755378 (E_RNA) where: Base-Base interactions energy: -1088.815 where: short stacking energy: -456.328 Base-Backbone interact. energy: -2.310 local terms energy: -532.630095 where: bonds (distance) C4'-P energy: -117.741 bonds (distance) P-C4' energy: -96.968 flat angles C4'-P-C4' energy: -118.513 flat angles P-C4'-P energy: -72.256 tors. eta vs tors. theta energy: -127.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1567.299238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.299238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.299238 (E_RNA) where: Base-Base interactions energy: -1080.932 where: short stacking energy: -461.697 Base-Backbone interact. energy: 3.677 local terms energy: -490.044367 where: bonds (distance) C4'-P energy: -88.538 bonds (distance) P-C4' energy: -100.073 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -65.009 tors. eta vs tors. theta energy: -127.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1269.541554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.541554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.541554 (E_RNA) where: Base-Base interactions energy: -842.276 where: short stacking energy: -365.777 Base-Backbone interact. energy: -1.151 local terms energy: -426.114314 where: bonds (distance) C4'-P energy: -106.517 bonds (distance) P-C4' energy: -104.166 flat angles C4'-P-C4' energy: -94.534 flat angles P-C4'-P energy: -55.552 tors. eta vs tors. theta energy: -65.345 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: -1070.387014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.387014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.387014 (E_RNA) where: Base-Base interactions energy: -679.863 where: short stacking energy: -317.208 Base-Backbone interact. energy: 7.215 local terms energy: -397.739800 where: bonds (distance) C4'-P energy: -84.191 bonds (distance) P-C4' energy: -109.005 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -54.399 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: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -2292.248673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.248673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.248673 (E_RNA) where: Base-Base interactions energy: -1599.019 where: short stacking energy: -642.371 Base-Backbone interact. energy: -3.046 local terms energy: -690.183342 where: bonds (distance) C4'-P energy: -117.886 bonds (distance) P-C4' energy: -123.754 flat angles C4'-P-C4' energy: -155.593 flat angles P-C4'-P energy: -90.973 tors. eta vs tors. theta energy: -201.977 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: 2, replica: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2239.316470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.316470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.316470 (E_RNA) where: Base-Base interactions energy: -1571.038 where: short stacking energy: -647.459 Base-Backbone interact. energy: -1.798 local terms energy: -666.479985 where: bonds (distance) C4'-P energy: -113.834 bonds (distance) P-C4' energy: -135.509 flat angles C4'-P-C4' energy: -138.668 flat angles P-C4'-P energy: -90.403 tors. eta vs tors. theta energy: -188.067 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: 3, replica: 10 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2213.801828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.801828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.801828 (E_RNA) where: Base-Base interactions energy: -1570.890 where: short stacking energy: -619.160 Base-Backbone interact. energy: -0.098 local terms energy: -642.813634 where: bonds (distance) C4'-P energy: -118.870 bonds (distance) P-C4' energy: -96.223 flat angles C4'-P-C4' energy: -139.826 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -188.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2117.205848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.205848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.205848 (E_RNA) where: Base-Base interactions energy: -1436.278 where: short stacking energy: -612.471 Base-Backbone interact. energy: -0.787 local terms energy: -680.140915 where: bonds (distance) C4'-P energy: -127.588 bonds (distance) P-C4' energy: -120.946 flat angles C4'-P-C4' energy: -147.467 flat angles P-C4'-P energy: -95.555 tors. eta vs tors. theta energy: -188.585 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: 325 Temperature: 1.100000 Total energy: -1983.346253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.346253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.346253 (E_RNA) where: Base-Base interactions energy: -1400.472 where: short stacking energy: -538.625 Base-Backbone interact. energy: 0.670 local terms energy: -583.544408 where: bonds (distance) C4'-P energy: -110.436 bonds (distance) P-C4' energy: -103.460 flat angles C4'-P-C4' energy: -133.359 flat angles P-C4'-P energy: -79.710 tors. eta vs tors. theta energy: -156.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1671.339509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.339509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.339509 (E_RNA) where: Base-Base interactions energy: -1136.539 where: short stacking energy: -490.086 Base-Backbone interact. energy: -2.731 local terms energy: -532.069251 where: bonds (distance) C4'-P energy: -91.138 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -119.768 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -126.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1724.538540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.538540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.538540 (E_RNA) where: Base-Base interactions energy: -1195.579 where: short stacking energy: -530.617 Base-Backbone interact. energy: 0.042 local terms energy: -529.002063 where: bonds (distance) C4'-P energy: -100.686 bonds (distance) P-C4' energy: -99.625 flat angles C4'-P-C4' energy: -110.998 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -148.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1619.834460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.834460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.834460 (E_RNA) where: Base-Base interactions energy: -1076.633 where: short stacking energy: -435.649 Base-Backbone interact. energy: -1.014 local terms energy: -542.187407 where: bonds (distance) C4'-P energy: -106.194 bonds (distance) P-C4' energy: -107.162 flat angles C4'-P-C4' energy: -115.179 flat angles P-C4'-P energy: -81.402 tors. eta vs tors. theta energy: -132.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1205.434608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.434608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.434608 (E_RNA) where: Base-Base interactions energy: -766.754 where: short stacking energy: -353.403 Base-Backbone interact. energy: 0.162 local terms energy: -438.842527 where: bonds (distance) C4'-P energy: -84.818 bonds (distance) P-C4' energy: -122.590 flat angles C4'-P-C4' energy: -97.974 flat angles P-C4'-P energy: -65.199 tors. eta vs tors. theta energy: -68.261 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: 325 Temperature: 1.350000 Total energy: -1103.533933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.533933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.533933 (E_RNA) where: Base-Base interactions energy: -689.668 where: short stacking energy: -292.247 Base-Backbone interact. energy: 3.110 local terms energy: -416.975699 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -115.346 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -61.214 tors. eta vs tors. theta energy: -49.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2276.505056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.505056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.505056 (E_RNA) where: Base-Base interactions energy: -1580.699 where: short stacking energy: -656.180 Base-Backbone interact. energy: -0.979 local terms energy: -694.826464 where: bonds (distance) C4'-P energy: -125.750 bonds (distance) P-C4' energy: -118.219 flat angles C4'-P-C4' energy: -137.173 flat angles P-C4'-P energy: -105.318 tors. eta vs tors. theta energy: -208.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2250.851263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.851263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.851263 (E_RNA) where: Base-Base interactions energy: -1586.095 where: short stacking energy: -659.262 Base-Backbone interact. energy: -2.420 local terms energy: -662.335475 where: bonds (distance) C4'-P energy: -117.670 bonds (distance) P-C4' energy: -116.385 flat angles C4'-P-C4' energy: -128.390 flat angles P-C4'-P energy: -99.108 tors. eta vs tors. theta energy: -200.782 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: 326 Temperature: 1.000000 Total energy: -2168.468275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.468275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.468275 (E_RNA) where: Base-Base interactions energy: -1521.765 where: short stacking energy: -644.964 Base-Backbone interact. energy: -0.945 local terms energy: -645.758619 where: bonds (distance) C4'-P energy: -112.291 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -146.897 flat angles P-C4'-P energy: -85.607 tors. eta vs tors. theta energy: -187.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2137.660603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.660603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.660603 (E_RNA) where: Base-Base interactions energy: -1524.823 where: short stacking energy: -598.415 Base-Backbone interact. energy: -3.909 local terms energy: -608.928884 where: bonds (distance) C4'-P energy: -103.563 bonds (distance) P-C4' energy: -109.168 flat angles C4'-P-C4' energy: -134.420 flat angles P-C4'-P energy: -83.245 tors. eta vs tors. theta energy: -178.532 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: 2 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1988.517722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.517722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.517722 (E_RNA) where: Base-Base interactions energy: -1386.738 where: short stacking energy: -568.828 Base-Backbone interact. energy: 0.144 local terms energy: -601.924281 where: bonds (distance) C4'-P energy: -98.409 bonds (distance) P-C4' energy: -109.218 flat angles C4'-P-C4' energy: -138.112 flat angles P-C4'-P energy: -97.114 tors. eta vs tors. theta energy: -159.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1728.547388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.547388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.547388 (E_RNA) where: Base-Base interactions energy: -1208.301 where: short stacking energy: -518.332 Base-Backbone interact. energy: -0.382 local terms energy: -519.864279 where: bonds (distance) C4'-P energy: -98.487 bonds (distance) P-C4' energy: -111.236 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -134.340 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: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1717.598588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.598588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.598588 (E_RNA) where: Base-Base interactions energy: -1160.546 where: short stacking energy: -500.009 Base-Backbone interact. energy: -1.265 local terms energy: -555.787651 where: bonds (distance) C4'-P energy: -104.770 bonds (distance) P-C4' energy: -99.067 flat angles C4'-P-C4' energy: -124.194 flat angles P-C4'-P energy: -92.463 tors. eta vs tors. theta energy: -135.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1600.085022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.085022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.085022 (E_RNA) where: Base-Base interactions energy: -1094.554 where: short stacking energy: -460.747 Base-Backbone interact. energy: -0.582 local terms energy: -504.948633 where: bonds (distance) C4'-P energy: -101.479 bonds (distance) P-C4' energy: -88.670 flat angles C4'-P-C4' energy: -116.757 flat angles P-C4'-P energy: -76.832 tors. eta vs tors. theta energy: -121.210 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: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1187.043497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.043497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.043497 (E_RNA) where: Base-Base interactions energy: -741.225 where: short stacking energy: -327.110 Base-Backbone interact. energy: -0.752 local terms energy: -445.066494 where: bonds (distance) C4'-P energy: -97.205 bonds (distance) P-C4' energy: -107.327 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -79.775 tors. eta vs tors. theta energy: -67.946 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: 3 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1109.209686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.209686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.209686 (E_RNA) where: Base-Base interactions energy: -727.977 where: short stacking energy: -327.865 Base-Backbone interact. energy: -1.708 local terms energy: -379.525064 where: bonds (distance) C4'-P energy: -89.960 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -61.159 tors. eta vs tors. theta energy: -62.801 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: 1, replica: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2253.936605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.936605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.936605 (E_RNA) where: Base-Base interactions energy: -1588.787 where: short stacking energy: -666.882 Base-Backbone interact. energy: -1.212 local terms energy: -663.937287 where: bonds (distance) C4'-P energy: -114.104 bonds (distance) P-C4' energy: -110.006 flat angles C4'-P-C4' energy: -145.217 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -200.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2257.840301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.840301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.840301 (E_RNA) where: Base-Base interactions energy: -1609.491 where: short stacking energy: -654.329 Base-Backbone interact. energy: -2.689 local terms energy: -645.659960 where: bonds (distance) C4'-P energy: -109.488 bonds (distance) P-C4' energy: -116.989 flat angles C4'-P-C4' energy: -135.820 flat angles P-C4'-P energy: -82.421 tors. eta vs tors. theta energy: -200.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2163.799910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.799910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.799910 (E_RNA) where: Base-Base interactions energy: -1516.652 where: short stacking energy: -617.983 Base-Backbone interact. energy: -1.817 local terms energy: -645.330871 where: bonds (distance) C4'-P energy: -118.728 bonds (distance) P-C4' energy: -110.344 flat angles C4'-P-C4' energy: -143.527 flat angles P-C4'-P energy: -87.080 tors. eta vs tors. theta energy: -185.652 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: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2152.737978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.737978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.737978 (E_RNA) where: Base-Base interactions energy: -1511.728 where: short stacking energy: -583.197 Base-Backbone interact. energy: -0.889 local terms energy: -640.121208 where: bonds (distance) C4'-P energy: -127.276 bonds (distance) P-C4' energy: -117.155 flat angles C4'-P-C4' energy: -129.362 flat angles P-C4'-P energy: -88.260 tors. eta vs tors. theta energy: -178.068 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: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1964.803012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.803012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.803012 (E_RNA) where: Base-Base interactions energy: -1384.516 where: short stacking energy: -573.205 Base-Backbone interact. energy: 9.081 local terms energy: -589.367140 where: bonds (distance) C4'-P energy: -97.157 bonds (distance) P-C4' energy: -118.344 flat angles C4'-P-C4' energy: -134.898 flat angles P-C4'-P energy: -76.075 tors. eta vs tors. theta energy: -162.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1820.799341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.799341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.799341 (E_RNA) where: Base-Base interactions energy: -1279.925 where: short stacking energy: -528.812 Base-Backbone interact. energy: -2.896 local terms energy: -537.979011 where: bonds (distance) C4'-P energy: -91.905 bonds (distance) P-C4' energy: -86.558 flat angles C4'-P-C4' energy: -133.973 flat angles P-C4'-P energy: -77.036 tors. eta vs tors. theta energy: -148.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1631.870854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.870854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.870854 (E_RNA) where: Base-Base interactions energy: -1094.995 where: short stacking energy: -448.624 Base-Backbone interact. energy: 0.136 local terms energy: -537.012741 where: bonds (distance) C4'-P energy: -107.182 bonds (distance) P-C4' energy: -103.635 flat angles C4'-P-C4' energy: -116.913 flat angles P-C4'-P energy: -79.971 tors. eta vs tors. theta energy: -129.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1496.829696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.829696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.829696 (E_RNA) where: Base-Base interactions energy: -1019.543 where: short stacking energy: -430.178 Base-Backbone interact. energy: 0.032 local terms energy: -477.318169 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -94.247 flat angles C4'-P-C4' energy: -111.838 flat angles P-C4'-P energy: -66.556 tors. eta vs tors. theta energy: -116.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1169.171023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.171023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.171023 (E_RNA) where: Base-Base interactions energy: -722.812 where: short stacking energy: -335.349 Base-Backbone interact. energy: -1.207 local terms energy: -445.151897 where: bonds (distance) C4'-P energy: -99.203 bonds (distance) P-C4' energy: -101.259 flat angles C4'-P-C4' energy: -114.100 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -70.870 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: 3 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1148.438645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.438645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.438645 (E_RNA) where: Base-Base interactions energy: -706.053 where: short stacking energy: -322.777 Base-Backbone interact. energy: -1.490 local terms energy: -440.895535 where: bonds (distance) C4'-P energy: -98.578 bonds (distance) P-C4' energy: -110.914 flat angles C4'-P-C4' energy: -93.454 flat angles P-C4'-P energy: -69.718 tors. eta vs tors. theta energy: -68.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2320.742990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.742990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.742990 (E_RNA) where: Base-Base interactions energy: -1609.549 where: short stacking energy: -647.158 Base-Backbone interact. energy: 0.854 local terms energy: -712.048267 where: bonds (distance) C4'-P energy: -134.989 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -140.027 flat angles P-C4'-P energy: -109.120 tors. eta vs tors. theta energy: -194.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2251.045441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.045441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.045441 (E_RNA) where: Base-Base interactions energy: -1571.347 where: short stacking energy: -645.642 Base-Backbone interact. energy: -0.832 local terms energy: -678.866661 where: bonds (distance) C4'-P energy: -113.311 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -145.114 flat angles P-C4'-P energy: -100.712 tors. eta vs tors. theta energy: -194.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2196.575045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.575045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.575045 (E_RNA) where: Base-Base interactions energy: -1536.405 where: short stacking energy: -622.045 Base-Backbone interact. energy: -4.023 local terms energy: -656.146923 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -119.949 flat angles C4'-P-C4' energy: -129.295 flat angles P-C4'-P energy: -86.649 tors. eta vs tors. theta energy: -192.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2147.918555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.918555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.918555 (E_RNA) where: Base-Base interactions energy: -1501.163 where: short stacking energy: -620.615 Base-Backbone interact. energy: -1.749 local terms energy: -645.006491 where: bonds (distance) C4'-P energy: -108.601 bonds (distance) P-C4' energy: -122.069 flat angles C4'-P-C4' energy: -128.965 flat angles P-C4'-P energy: -85.420 tors. eta vs tors. theta energy: -199.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1922.748754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.748754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.748754 (E_RNA) where: Base-Base interactions energy: -1344.648 where: short stacking energy: -536.166 Base-Backbone interact. energy: -2.207 local terms energy: -575.894124 where: bonds (distance) C4'-P energy: -106.115 bonds (distance) P-C4' energy: -95.021 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -87.772 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: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1856.523627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.523627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.523627 (E_RNA) where: Base-Base interactions energy: -1285.555 where: short stacking energy: -510.959 Base-Backbone interact. energy: 0.399 local terms energy: -571.367556 where: bonds (distance) C4'-P energy: -110.878 bonds (distance) P-C4' energy: -109.190 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -81.621 tors. eta vs tors. theta energy: -153.718 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: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1636.616940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.616940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.616940 (E_RNA) where: Base-Base interactions energy: -1104.695 where: short stacking energy: -484.292 Base-Backbone interact. energy: 1.380 local terms energy: -533.301821 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -110.086 flat angles C4'-P-C4' energy: -122.627 flat angles P-C4'-P energy: -83.313 tors. eta vs tors. theta energy: -127.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1499.784615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.784615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.784615 (E_RNA) where: Base-Base interactions energy: -999.024 where: short stacking energy: -436.667 Base-Backbone interact. energy: -0.515 local terms energy: -500.245591 where: bonds (distance) C4'-P energy: -95.298 bonds (distance) P-C4' energy: -104.385 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -107.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1177.672901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.672901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.672901 (E_RNA) where: Base-Base interactions energy: -780.708 where: short stacking energy: -355.013 Base-Backbone interact. energy: -1.610 local terms energy: -395.354253 where: bonds (distance) C4'-P energy: -99.425 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -92.818 flat angles P-C4'-P energy: -68.175 tors. eta vs tors. theta energy: -65.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1103.678021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.678021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.678021 (E_RNA) where: Base-Base interactions energy: -698.235 where: short stacking energy: -288.219 Base-Backbone interact. energy: 0.528 local terms energy: -405.971260 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -104.805 flat angles C4'-P-C4' energy: -107.657 flat angles P-C4'-P energy: -53.886 tors. eta vs tors. theta energy: -51.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2316.846568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.846568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.846568 (E_RNA) where: Base-Base interactions energy: -1632.704 where: short stacking energy: -675.827 Base-Backbone interact. energy: -1.017 local terms energy: -683.125573 where: bonds (distance) C4'-P energy: -123.985 bonds (distance) P-C4' energy: -122.210 flat angles C4'-P-C4' energy: -137.087 flat angles P-C4'-P energy: -95.296 tors. eta vs tors. theta energy: -204.548 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: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2239.332250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.332250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.332250 (E_RNA) where: Base-Base interactions energy: -1559.974 where: short stacking energy: -615.198 Base-Backbone interact. energy: -5.084 local terms energy: -674.273881 where: bonds (distance) C4'-P energy: -128.487 bonds (distance) P-C4' energy: -120.859 flat angles C4'-P-C4' energy: -142.036 flat angles P-C4'-P energy: -89.553 tors. eta vs tors. theta energy: -193.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2184.350127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.350127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.350127 (E_RNA) where: Base-Base interactions energy: -1554.550 where: short stacking energy: -629.872 Base-Backbone interact. energy: -0.828 local terms energy: -628.972512 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -99.563 flat angles C4'-P-C4' energy: -140.613 flat angles P-C4'-P energy: -78.090 tors. eta vs tors. theta energy: -191.305 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: 329 Temperature: 1.050000 Total energy: -2103.998443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.998443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.998443 (E_RNA) where: Base-Base interactions energy: -1481.222 where: short stacking energy: -623.536 Base-Backbone interact. energy: 2.279 local terms energy: -625.054601 where: bonds (distance) C4'-P energy: -113.321 bonds (distance) P-C4' energy: -113.253 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -84.097 tors. eta vs tors. theta energy: -186.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1906.230453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.230453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.230453 (E_RNA) where: Base-Base interactions energy: -1307.700 where: short stacking energy: -513.539 Base-Backbone interact. energy: -2.478 local terms energy: -596.052564 where: bonds (distance) C4'-P energy: -117.308 bonds (distance) P-C4' energy: -110.016 flat angles C4'-P-C4' energy: -124.581 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -154.158 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: 329 Temperature: 1.150000 Total energy: -1889.647343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.647343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.647343 (E_RNA) where: Base-Base interactions energy: -1297.478 where: short stacking energy: -531.465 Base-Backbone interact. energy: -1.035 local terms energy: -591.134897 where: bonds (distance) C4'-P energy: -110.761 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -124.462 flat angles P-C4'-P energy: -90.934 tors. eta vs tors. theta energy: -154.598 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: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1669.131090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.131090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.131090 (E_RNA) where: Base-Base interactions energy: -1112.745 where: short stacking energy: -465.639 Base-Backbone interact. energy: -0.393 local terms energy: -555.993575 where: bonds (distance) C4'-P energy: -108.007 bonds (distance) P-C4' energy: -89.518 flat angles C4'-P-C4' energy: -122.438 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -139.179 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: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1487.732122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.732122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.732122 (E_RNA) where: Base-Base interactions energy: -971.184 where: short stacking energy: -384.531 Base-Backbone interact. energy: -2.216 local terms energy: -514.332230 where: bonds (distance) C4'-P energy: -117.380 bonds (distance) P-C4' energy: -101.487 flat angles C4'-P-C4' energy: -114.846 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -107.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1190.000234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.000234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.000234 (E_RNA) where: Base-Base interactions energy: -773.511 where: short stacking energy: -349.510 Base-Backbone interact. energy: 2.780 local terms energy: -419.268816 where: bonds (distance) C4'-P energy: -78.209 bonds (distance) P-C4' energy: -108.396 flat angles C4'-P-C4' energy: -101.795 flat angles P-C4'-P energy: -59.770 tors. eta vs tors. theta energy: -71.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1100.265109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.265109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.265109 (E_RNA) where: Base-Base interactions energy: -687.073 where: short stacking energy: -289.302 Base-Backbone interact. energy: 1.548 local terms energy: -414.740016 where: bonds (distance) C4'-P energy: -99.841 bonds (distance) P-C4' energy: -100.033 flat angles C4'-P-C4' energy: -92.945 flat angles P-C4'-P energy: -71.221 tors. eta vs tors. theta energy: -50.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -2349.304918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.304918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.304918 (E_RNA) where: Base-Base interactions energy: -1666.001 where: short stacking energy: -689.569 Base-Backbone interact. energy: -2.495 local terms energy: -680.809032 where: bonds (distance) C4'-P energy: -125.768 bonds (distance) P-C4' energy: -118.419 flat angles C4'-P-C4' energy: -140.475 flat angles P-C4'-P energy: -95.906 tors. eta vs tors. theta energy: -200.242 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: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2226.793282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.793282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.793282 (E_RNA) where: Base-Base interactions energy: -1575.536 where: short stacking energy: -616.323 Base-Backbone interact. energy: 0.057 local terms energy: -651.314794 where: bonds (distance) C4'-P energy: -109.948 bonds (distance) P-C4' energy: -112.235 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -96.611 tors. eta vs tors. theta energy: -193.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2181.958846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.958846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.958846 (E_RNA) where: Base-Base interactions energy: -1526.061 where: short stacking energy: -613.652 Base-Backbone interact. energy: 0.207 local terms energy: -656.105122 where: bonds (distance) C4'-P energy: -109.039 bonds (distance) P-C4' energy: -121.411 flat angles C4'-P-C4' energy: -148.997 flat angles P-C4'-P energy: -93.847 tors. eta vs tors. theta energy: -182.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2109.881823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.881823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.881823 (E_RNA) where: Base-Base interactions energy: -1467.929 where: short stacking energy: -613.783 Base-Backbone interact. energy: -1.616 local terms energy: -640.337319 where: bonds (distance) C4'-P energy: -109.349 bonds (distance) P-C4' energy: -113.511 flat angles C4'-P-C4' energy: -129.622 flat angles P-C4'-P energy: -98.461 tors. eta vs tors. theta energy: -189.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1901.760057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.760057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.760057 (E_RNA) where: Base-Base interactions energy: -1341.689 where: short stacking energy: -548.231 Base-Backbone interact. energy: -2.418 local terms energy: -557.653202 where: bonds (distance) C4'-P energy: -100.289 bonds (distance) P-C4' energy: -107.956 flat angles C4'-P-C4' energy: -119.388 flat angles P-C4'-P energy: -84.787 tors. eta vs tors. theta energy: -145.233 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: 330 Temperature: 1.150000 Total energy: -1822.627874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.627874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.627874 (E_RNA) where: Base-Base interactions energy: -1237.038 where: short stacking energy: -493.771 Base-Backbone interact. energy: -2.110 local terms energy: -583.479598 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -105.673 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -93.044 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: 7, replica: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1672.283777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.283777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.283777 (E_RNA) where: Base-Base interactions energy: -1140.880 where: short stacking energy: -482.183 Base-Backbone interact. energy: -0.044 local terms energy: -531.359568 where: bonds (distance) C4'-P energy: -96.504 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -114.214 flat angles P-C4'-P energy: -79.768 tors. eta vs tors. theta energy: -130.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1515.736068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.736068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.736068 (E_RNA) where: Base-Base interactions energy: -1017.469 where: short stacking energy: -438.204 Base-Backbone interact. energy: -1.755 local terms energy: -496.512010 where: bonds (distance) C4'-P energy: -113.456 bonds (distance) P-C4' energy: -108.522 flat angles C4'-P-C4' energy: -112.799 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -96.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1223.847691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.847691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.847691 (E_RNA) where: Base-Base interactions energy: -790.328 where: short stacking energy: -364.422 Base-Backbone interact. energy: -0.305 local terms energy: -433.215280 where: bonds (distance) C4'-P energy: -76.756 bonds (distance) P-C4' energy: -95.775 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -79.207 tors. eta vs tors. theta energy: -82.247 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: 330 Temperature: 1.350000 Total energy: -1132.543287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.543287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.543287 (E_RNA) where: Base-Base interactions energy: -691.335 where: short stacking energy: -296.264 Base-Backbone interact. energy: -0.040 local terms energy: -441.169068 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -100.570 flat angles C4'-P-C4' energy: -109.734 flat angles P-C4'-P energy: -69.819 tors. eta vs tors. theta energy: -60.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -2324.446730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.446730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.446730 (E_RNA) where: Base-Base interactions energy: -1637.300 where: short stacking energy: -650.395 Base-Backbone interact. energy: -1.670 local terms energy: -685.476144 where: bonds (distance) C4'-P energy: -114.433 bonds (distance) P-C4' energy: -136.491 flat angles C4'-P-C4' energy: -143.787 flat angles P-C4'-P energy: -94.876 tors. eta vs tors. theta energy: -195.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2236.137086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.137086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.137086 (E_RNA) where: Base-Base interactions energy: -1573.673 where: short stacking energy: -651.350 Base-Backbone interact. energy: -3.059 local terms energy: -659.404891 where: bonds (distance) C4'-P energy: -113.983 bonds (distance) P-C4' energy: -115.360 flat angles C4'-P-C4' energy: -145.950 flat angles P-C4'-P energy: -94.433 tors. eta vs tors. theta energy: -189.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2188.952549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.952549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.952549 (E_RNA) where: Base-Base interactions energy: -1509.434 where: short stacking energy: -630.367 Base-Backbone interact. energy: -0.914 local terms energy: -678.605292 where: bonds (distance) C4'-P energy: -123.835 bonds (distance) P-C4' energy: -110.754 flat angles C4'-P-C4' energy: -145.737 flat angles P-C4'-P energy: -100.542 tors. eta vs tors. theta energy: -197.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2110.457432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.457432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.457432 (E_RNA) where: Base-Base interactions energy: -1482.172 where: short stacking energy: -623.865 Base-Backbone interact. energy: 0.478 local terms energy: -628.762516 where: bonds (distance) C4'-P energy: -108.484 bonds (distance) P-C4' energy: -98.390 flat angles C4'-P-C4' energy: -134.649 flat angles P-C4'-P energy: -96.523 tors. eta vs tors. theta energy: -190.716 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: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1851.614385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.614385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.614385 (E_RNA) where: Base-Base interactions energy: -1284.274 where: short stacking energy: -523.965 Base-Backbone interact. energy: -2.267 local terms energy: -565.074095 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -110.722 flat angles C4'-P-C4' energy: -132.739 flat angles P-C4'-P energy: -76.665 tors. eta vs tors. theta energy: -144.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1816.090114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.090114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.090114 (E_RNA) where: Base-Base interactions energy: -1237.331 where: short stacking energy: -526.816 Base-Backbone interact. energy: -1.160 local terms energy: -577.599164 where: bonds (distance) C4'-P energy: -105.625 bonds (distance) P-C4' energy: -111.115 flat angles C4'-P-C4' energy: -128.425 flat angles P-C4'-P energy: -83.669 tors. eta vs tors. theta energy: -148.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1637.702563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.702563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.702563 (E_RNA) where: Base-Base interactions energy: -1105.533 where: short stacking energy: -464.994 Base-Backbone interact. energy: -2.297 local terms energy: -529.871968 where: bonds (distance) C4'-P energy: -107.520 bonds (distance) P-C4' energy: -92.162 flat angles C4'-P-C4' energy: -121.234 flat angles P-C4'-P energy: -82.327 tors. eta vs tors. theta energy: -126.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1489.517889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.517889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.517889 (E_RNA) where: Base-Base interactions energy: -978.032 where: short stacking energy: -426.967 Base-Backbone interact. energy: 0.282 local terms energy: -511.767946 where: bonds (distance) C4'-P energy: -106.160 bonds (distance) P-C4' energy: -119.622 flat angles C4'-P-C4' energy: -114.096 flat angles P-C4'-P energy: -65.937 tors. eta vs tors. theta energy: -105.952 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: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1187.457184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.457184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.457184 (E_RNA) where: Base-Base interactions energy: -741.012 where: short stacking energy: -317.857 Base-Backbone interact. energy: -1.615 local terms energy: -444.830037 where: bonds (distance) C4'-P energy: -102.238 bonds (distance) P-C4' energy: -110.221 flat angles C4'-P-C4' energy: -113.319 flat angles P-C4'-P energy: -47.883 tors. eta vs tors. theta energy: -71.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1128.978094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.978094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.978094 (E_RNA) where: Base-Base interactions energy: -727.872 where: short stacking energy: -316.417 Base-Backbone interact. energy: -0.768 local terms energy: -400.338107 where: bonds (distance) C4'-P energy: -96.830 bonds (distance) P-C4' energy: -108.637 flat angles C4'-P-C4' energy: -100.151 flat angles P-C4'-P energy: -41.516 tors. eta vs tors. theta energy: -53.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -2346.023505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.023505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.023505 (E_RNA) where: Base-Base interactions energy: -1654.254 where: short stacking energy: -683.500 Base-Backbone interact. energy: -0.072 local terms energy: -691.698400 where: bonds (distance) C4'-P energy: -113.865 bonds (distance) P-C4' energy: -127.092 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -108.141 tors. eta vs tors. theta energy: -198.857 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: 10 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2238.892578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.892578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.892578 (E_RNA) where: Base-Base interactions energy: -1564.761 where: short stacking energy: -631.922 Base-Backbone interact. energy: -2.117 local terms energy: -672.014399 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -124.196 flat angles C4'-P-C4' energy: -133.099 flat angles P-C4'-P energy: -101.895 tors. eta vs tors. theta energy: -192.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2171.425172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.425172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.425172 (E_RNA) where: Base-Base interactions energy: -1518.291 where: short stacking energy: -624.537 Base-Backbone interact. energy: -2.145 local terms energy: -650.989545 where: bonds (distance) C4'-P energy: -103.885 bonds (distance) P-C4' energy: -120.268 flat angles C4'-P-C4' energy: -138.955 flat angles P-C4'-P energy: -97.169 tors. eta vs tors. theta energy: -190.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2106.640046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.640046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.640046 (E_RNA) where: Base-Base interactions energy: -1475.861 where: short stacking energy: -600.031 Base-Backbone interact. energy: -0.700 local terms energy: -630.078404 where: bonds (distance) C4'-P energy: -118.147 bonds (distance) P-C4' energy: -113.986 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -78.818 tors. eta vs tors. theta energy: -186.192 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: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1907.500264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.500264 (E_RNA) where: Base-Base interactions energy: -1300.438 where: short stacking energy: -567.277 Base-Backbone interact. energy: 0.267 local terms energy: -607.329206 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -104.592 flat angles C4'-P-C4' energy: -133.840 flat angles P-C4'-P energy: -92.093 tors. eta vs tors. theta energy: -159.162 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: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1874.433148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.433148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.433148 (E_RNA) where: Base-Base interactions energy: -1296.646 where: short stacking energy: -517.204 Base-Backbone interact. energy: 1.816 local terms energy: -579.603313 where: bonds (distance) C4'-P energy: -121.446 bonds (distance) P-C4' energy: -115.542 flat angles C4'-P-C4' energy: -130.457 flat angles P-C4'-P energy: -62.392 tors. eta vs tors. theta energy: -149.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1628.551675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.551675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.551675 (E_RNA) where: Base-Base interactions energy: -1122.437 where: short stacking energy: -485.887 Base-Backbone interact. energy: 1.780 local terms energy: -507.894344 where: bonds (distance) C4'-P energy: -102.208 bonds (distance) P-C4' energy: -84.288 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -80.378 tors. eta vs tors. theta energy: -120.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1478.545305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.545305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.545305 (E_RNA) where: Base-Base interactions energy: -996.670 where: short stacking energy: -432.200 Base-Backbone interact. energy: -2.096 local terms energy: -479.779538 where: bonds (distance) C4'-P energy: -83.059 bonds (distance) P-C4' energy: -108.959 flat angles C4'-P-C4' energy: -111.882 flat angles P-C4'-P energy: -66.587 tors. eta vs tors. theta energy: -109.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1202.516615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.516615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.516615 (E_RNA) where: Base-Base interactions energy: -773.203 where: short stacking energy: -328.907 Base-Backbone interact. energy: -1.731 local terms energy: -427.583293 where: bonds (distance) C4'-P energy: -87.151 bonds (distance) P-C4' energy: -106.045 flat angles C4'-P-C4' energy: -97.515 flat angles P-C4'-P energy: -61.479 tors. eta vs tors. theta energy: -75.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1110.733690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.733690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.733690 (E_RNA) where: Base-Base interactions energy: -726.954 where: short stacking energy: -300.712 Base-Backbone interact. energy: 1.642 local terms energy: -385.422634 where: bonds (distance) C4'-P energy: -84.627 bonds (distance) P-C4' energy: -95.318 flat angles C4'-P-C4' energy: -104.246 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -35.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -2311.160995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.160995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.160995 (E_RNA) where: Base-Base interactions energy: -1638.779 where: short stacking energy: -681.683 Base-Backbone interact. energy: -0.516 local terms energy: -671.866282 where: bonds (distance) C4'-P energy: -115.343 bonds (distance) P-C4' energy: -126.714 flat angles C4'-P-C4' energy: -139.530 flat angles P-C4'-P energy: -87.848 tors. eta vs tors. theta energy: -202.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -2252.072291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.072291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.072291 (E_RNA) where: Base-Base interactions energy: -1609.112 where: short stacking energy: -631.751 Base-Backbone interact. energy: -2.987 local terms energy: -639.972460 where: bonds (distance) C4'-P energy: -118.162 bonds (distance) P-C4' energy: -103.054 flat angles C4'-P-C4' energy: -137.775 flat angles P-C4'-P energy: -88.913 tors. eta vs tors. theta energy: -192.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2139.559621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.559621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.559621 (E_RNA) where: Base-Base interactions energy: -1493.760 where: short stacking energy: -611.401 Base-Backbone interact. energy: -1.102 local terms energy: -644.697665 where: bonds (distance) C4'-P energy: -123.193 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -85.353 tors. eta vs tors. theta energy: -182.638 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: 9 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2063.032225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.032225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.032225 (E_RNA) where: Base-Base interactions energy: -1438.869 where: short stacking energy: -587.736 Base-Backbone interact. energy: -1.928 local terms energy: -622.235332 where: bonds (distance) C4'-P energy: -106.347 bonds (distance) P-C4' energy: -108.260 flat angles C4'-P-C4' energy: -124.199 flat angles P-C4'-P energy: -91.020 tors. eta vs tors. theta energy: -192.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1895.897249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.897249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.897249 (E_RNA) where: Base-Base interactions energy: -1305.189 where: short stacking energy: -543.707 Base-Backbone interact. energy: 0.010 local terms energy: -590.718612 where: bonds (distance) C4'-P energy: -108.261 bonds (distance) P-C4' energy: -111.785 flat angles C4'-P-C4' energy: -132.969 flat angles P-C4'-P energy: -89.928 tors. eta vs tors. theta energy: -147.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1815.339712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.339712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.339712 (E_RNA) where: Base-Base interactions energy: -1269.998 where: short stacking energy: -509.191 Base-Backbone interact. energy: -2.419 local terms energy: -542.922827 where: bonds (distance) C4'-P energy: -94.099 bonds (distance) P-C4' energy: -111.886 flat angles C4'-P-C4' energy: -125.974 flat angles P-C4'-P energy: -65.383 tors. eta vs tors. theta energy: -145.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1656.742931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.742931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.742931 (E_RNA) where: Base-Base interactions energy: -1164.160 where: short stacking energy: -479.003 Base-Backbone interact. energy: -1.901 local terms energy: -490.681934 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -95.166 flat angles C4'-P-C4' energy: -112.852 flat angles P-C4'-P energy: -70.680 tors. eta vs tors. theta energy: -125.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1490.993350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.993350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.993350 (E_RNA) where: Base-Base interactions energy: -984.096 where: short stacking energy: -428.105 Base-Backbone interact. energy: -1.297 local terms energy: -505.599637 where: bonds (distance) C4'-P energy: -112.619 bonds (distance) P-C4' energy: -95.077 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -78.452 tors. eta vs tors. theta energy: -111.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1245.795720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.795720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.795720 (E_RNA) where: Base-Base interactions energy: -778.533 where: short stacking energy: -337.275 Base-Backbone interact. energy: 0.500 local terms energy: -467.762700 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -119.713 flat angles C4'-P-C4' energy: -103.035 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -75.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1147.718965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.718965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.718965 (E_RNA) where: Base-Base interactions energy: -726.495 where: short stacking energy: -329.612 Base-Backbone interact. energy: -2.088 local terms energy: -419.135733 where: bonds (distance) C4'-P energy: -99.619 bonds (distance) P-C4' energy: -103.773 flat angles C4'-P-C4' energy: -102.142 flat angles P-C4'-P energy: -46.013 tors. eta vs tors. theta energy: -67.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -2333.483568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.483568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.483568 (E_RNA) where: Base-Base interactions energy: -1633.594 where: short stacking energy: -693.257 Base-Backbone interact. energy: 3.914 local terms energy: -703.804105 where: bonds (distance) C4'-P energy: -117.587 bonds (distance) P-C4' energy: -127.377 flat angles C4'-P-C4' energy: -145.456 flat angles P-C4'-P energy: -109.227 tors. eta vs tors. theta energy: -204.157 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: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2257.349978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.349978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.349978 (E_RNA) where: Base-Base interactions energy: -1596.168 where: short stacking energy: -619.883 Base-Backbone interact. energy: -2.354 local terms energy: -658.827882 where: bonds (distance) C4'-P energy: -110.011 bonds (distance) P-C4' energy: -127.799 flat angles C4'-P-C4' energy: -133.286 flat angles P-C4'-P energy: -89.202 tors. eta vs tors. theta energy: -198.530 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: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2172.303581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.303581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.303581 (E_RNA) where: Base-Base interactions energy: -1518.872 where: short stacking energy: -615.334 Base-Backbone interact. energy: -0.241 local terms energy: -653.190294 where: bonds (distance) C4'-P energy: -110.249 bonds (distance) P-C4' energy: -124.251 flat angles C4'-P-C4' energy: -140.071 flat angles P-C4'-P energy: -90.598 tors. eta vs tors. theta energy: -188.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2062.693579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.693579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.693579 (E_RNA) where: Base-Base interactions energy: -1439.055 where: short stacking energy: -607.200 Base-Backbone interact. energy: 1.247 local terms energy: -624.885663 where: bonds (distance) C4'-P energy: -102.562 bonds (distance) P-C4' energy: -116.584 flat angles C4'-P-C4' energy: -128.739 flat angles P-C4'-P energy: -90.740 tors. eta vs tors. theta energy: -186.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1861.457595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.457595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.457595 (E_RNA) where: Base-Base interactions energy: -1280.530 where: short stacking energy: -549.464 Base-Backbone interact. energy: -0.472 local terms energy: -580.455119 where: bonds (distance) C4'-P energy: -106.242 bonds (distance) P-C4' energy: -107.080 flat angles C4'-P-C4' energy: -122.686 flat angles P-C4'-P energy: -85.489 tors. eta vs tors. theta energy: -158.958 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: 6, replica: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1775.603753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.603753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.603753 (E_RNA) where: Base-Base interactions energy: -1231.747 where: short stacking energy: -496.339 Base-Backbone interact. energy: -1.465 local terms energy: -542.391076 where: bonds (distance) C4'-P energy: -100.993 bonds (distance) P-C4' energy: -111.657 flat angles C4'-P-C4' energy: -118.432 flat angles P-C4'-P energy: -72.913 tors. eta vs tors. theta energy: -138.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1682.799293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.799293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.799293 (E_RNA) where: Base-Base interactions energy: -1148.940 where: short stacking energy: -482.000 Base-Backbone interact. energy: -1.509 local terms energy: -532.350289 where: bonds (distance) C4'-P energy: -108.737 bonds (distance) P-C4' energy: -111.638 flat angles C4'-P-C4' energy: -123.176 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -121.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1527.113871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.113871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.113871 (E_RNA) where: Base-Base interactions energy: -1023.878 where: short stacking energy: -422.419 Base-Backbone interact. energy: -0.551 local terms energy: -502.684786 where: bonds (distance) C4'-P energy: -93.164 bonds (distance) P-C4' energy: -99.420 flat angles C4'-P-C4' energy: -116.504 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -117.646 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: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1203.456483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.456483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.456483 (E_RNA) where: Base-Base interactions energy: -776.538 where: short stacking energy: -353.603 Base-Backbone interact. energy: -1.033 local terms energy: -425.885278 where: bonds (distance) C4'-P energy: -87.094 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -100.871 flat angles P-C4'-P energy: -71.572 tors. eta vs tors. theta energy: -74.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1144.929507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.929507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.929507 (E_RNA) where: Base-Base interactions energy: -734.222 where: short stacking energy: -313.133 Base-Backbone interact. energy: 0.261 local terms energy: -410.968440 where: bonds (distance) C4'-P energy: -94.508 bonds (distance) P-C4' energy: -112.400 flat angles C4'-P-C4' energy: -91.374 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -42.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -2318.093401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.093401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.093401 (E_RNA) where: Base-Base interactions energy: -1610.024 where: short stacking energy: -667.920 Base-Backbone interact. energy: -0.066 local terms energy: -708.003057 where: bonds (distance) C4'-P energy: -125.523 bonds (distance) P-C4' energy: -129.159 flat angles C4'-P-C4' energy: -142.476 flat angles P-C4'-P energy: -101.262 tors. eta vs tors. theta energy: -209.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2260.076773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.076773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.076773 (E_RNA) where: Base-Base interactions energy: -1587.439 where: short stacking energy: -638.669 Base-Backbone interact. energy: -1.268 local terms energy: -671.370099 where: bonds (distance) C4'-P energy: -112.670 bonds (distance) P-C4' energy: -119.693 flat angles C4'-P-C4' energy: -139.988 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -191.451 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: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2157.852159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.852159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.852159 (E_RNA) where: Base-Base interactions energy: -1516.999 where: short stacking energy: -610.145 Base-Backbone interact. energy: -1.212 local terms energy: -639.641289 where: bonds (distance) C4'-P energy: -119.868 bonds (distance) P-C4' energy: -110.370 flat angles C4'-P-C4' energy: -129.843 flat angles P-C4'-P energy: -98.484 tors. eta vs tors. theta energy: -181.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2097.967365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.967365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.967365 (E_RNA) where: Base-Base interactions energy: -1423.626 where: short stacking energy: -603.874 Base-Backbone interact. energy: -3.316 local terms energy: -671.025733 where: bonds (distance) C4'-P energy: -120.926 bonds (distance) P-C4' energy: -108.305 flat angles C4'-P-C4' energy: -143.480 flat angles P-C4'-P energy: -106.051 tors. eta vs tors. theta energy: -192.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1878.678177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.678177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.678177 (E_RNA) where: Base-Base interactions energy: -1269.572 where: short stacking energy: -550.978 Base-Backbone interact. energy: -0.279 local terms energy: -608.827603 where: bonds (distance) C4'-P energy: -123.020 bonds (distance) P-C4' energy: -106.630 flat angles C4'-P-C4' energy: -135.666 flat angles P-C4'-P energy: -91.291 tors. eta vs tors. theta energy: -152.220 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: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1777.508713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.508713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.508713 (E_RNA) where: Base-Base interactions energy: -1240.388 where: short stacking energy: -489.963 Base-Backbone interact. energy: 2.886 local terms energy: -540.007303 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -93.165 flat angles C4'-P-C4' energy: -118.575 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -135.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1678.739036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.739036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.739036 (E_RNA) where: Base-Base interactions energy: -1179.889 where: short stacking energy: -471.859 Base-Backbone interact. energy: -1.042 local terms energy: -497.808497 where: bonds (distance) C4'-P energy: -105.946 bonds (distance) P-C4' energy: -94.416 flat angles C4'-P-C4' energy: -104.463 flat angles P-C4'-P energy: -60.225 tors. eta vs tors. theta energy: -132.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1495.660478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.660478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.660478 (E_RNA) where: Base-Base interactions energy: -1003.756 where: short stacking energy: -414.292 Base-Backbone interact. energy: 0.567 local terms energy: -492.471444 where: bonds (distance) C4'-P energy: -88.774 bonds (distance) P-C4' energy: -111.294 flat angles C4'-P-C4' energy: -111.323 flat angles P-C4'-P energy: -76.950 tors. eta vs tors. theta energy: -104.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1165.153108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.153108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.153108 (E_RNA) where: Base-Base interactions energy: -737.074 where: short stacking energy: -339.032 Base-Backbone interact. energy: -2.780 local terms energy: -425.298964 where: bonds (distance) C4'-P energy: -84.691 bonds (distance) P-C4' energy: -116.652 flat angles C4'-P-C4' energy: -80.775 flat angles P-C4'-P energy: -70.124 tors. eta vs tors. theta energy: -73.056 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: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1169.911649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.911649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.911649 (E_RNA) where: Base-Base interactions energy: -744.076 where: short stacking energy: -330.637 Base-Backbone interact. energy: -0.474 local terms energy: -425.361817 where: bonds (distance) C4'-P energy: -97.541 bonds (distance) P-C4' energy: -96.514 flat angles C4'-P-C4' energy: -101.302 flat angles P-C4'-P energy: -61.316 tors. eta vs tors. theta energy: -68.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -2341.056817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.056817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.056817 (E_RNA) where: Base-Base interactions energy: -1644.059 where: short stacking energy: -683.939 Base-Backbone interact. energy: -1.065 local terms energy: -695.933263 where: bonds (distance) C4'-P energy: -112.032 bonds (distance) P-C4' energy: -128.318 flat angles C4'-P-C4' energy: -145.379 flat angles P-C4'-P energy: -101.664 tors. eta vs tors. theta energy: -208.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2255.817737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.817737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.817737 (E_RNA) where: Base-Base interactions energy: -1575.390 where: short stacking energy: -633.142 Base-Backbone interact. energy: -5.078 local terms energy: -675.349784 where: bonds (distance) C4'-P energy: -116.206 bonds (distance) P-C4' energy: -130.882 flat angles C4'-P-C4' energy: -137.779 flat angles P-C4'-P energy: -100.260 tors. eta vs tors. theta energy: -190.223 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: 336 Temperature: 1.000000 Total energy: -2176.554534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.554534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.554534 (E_RNA) where: Base-Base interactions energy: -1523.196 where: short stacking energy: -617.014 Base-Backbone interact. energy: -4.420 local terms energy: -648.938835 where: bonds (distance) C4'-P energy: -116.423 bonds (distance) P-C4' energy: -114.708 flat angles C4'-P-C4' energy: -136.315 flat angles P-C4'-P energy: -97.402 tors. eta vs tors. theta energy: -184.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2077.681548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.681548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.681548 (E_RNA) where: Base-Base interactions energy: -1427.751 where: short stacking energy: -596.918 Base-Backbone interact. energy: -1.705 local terms energy: -648.225675 where: bonds (distance) C4'-P energy: -118.316 bonds (distance) P-C4' energy: -110.700 flat angles C4'-P-C4' energy: -146.256 flat angles P-C4'-P energy: -81.435 tors. eta vs tors. theta energy: -191.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1900.662428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.662428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.662428 (E_RNA) where: Base-Base interactions energy: -1298.200 where: short stacking energy: -546.966 Base-Backbone interact. energy: -1.280 local terms energy: -601.182149 where: bonds (distance) C4'-P energy: -121.630 bonds (distance) P-C4' energy: -112.341 flat angles C4'-P-C4' energy: -122.157 flat angles P-C4'-P energy: -90.610 tors. eta vs tors. theta energy: -154.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1846.370112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.370112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.370112 (E_RNA) where: Base-Base interactions energy: -1263.448 where: short stacking energy: -526.098 Base-Backbone interact. energy: 2.099 local terms energy: -585.020741 where: bonds (distance) C4'-P energy: -118.259 bonds (distance) P-C4' energy: -105.739 flat angles C4'-P-C4' energy: -126.410 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -145.174 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: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1647.619785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.619785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.619785 (E_RNA) where: Base-Base interactions energy: -1125.289 where: short stacking energy: -461.927 Base-Backbone interact. energy: -1.088 local terms energy: -521.243109 where: bonds (distance) C4'-P energy: -111.078 bonds (distance) P-C4' energy: -99.633 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -73.600 tors. eta vs tors. theta energy: -125.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1493.724975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.724975 (E_RNA) where: Base-Base interactions energy: -987.472 where: short stacking energy: -418.048 Base-Backbone interact. energy: 2.584 local terms energy: -508.836449 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -106.325 flat angles C4'-P-C4' energy: -128.997 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -115.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1190.499244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.499244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.499244 (E_RNA) where: Base-Base interactions energy: -769.147 where: short stacking energy: -313.686 Base-Backbone interact. energy: -1.732 local terms energy: -419.620033 where: bonds (distance) C4'-P energy: -86.946 bonds (distance) P-C4' energy: -85.863 flat angles C4'-P-C4' energy: -115.256 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -65.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1147.706248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.706248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.706248 (E_RNA) where: Base-Base interactions energy: -713.067 where: short stacking energy: -306.276 Base-Backbone interact. energy: 2.639 local terms energy: -437.278998 where: bonds (distance) C4'-P energy: -90.580 bonds (distance) P-C4' energy: -104.436 flat angles C4'-P-C4' energy: -106.103 flat angles P-C4'-P energy: -67.718 tors. eta vs tors. theta energy: -68.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -2376.426695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.426695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.426695 (E_RNA) where: Base-Base interactions energy: -1676.296 where: short stacking energy: -696.468 Base-Backbone interact. energy: -0.945 local terms energy: -699.185477 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -132.481 flat angles C4'-P-C4' energy: -141.399 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -204.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2251.967335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.967335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.967335 (E_RNA) where: Base-Base interactions energy: -1585.091 where: short stacking energy: -647.765 Base-Backbone interact. energy: -3.934 local terms energy: -662.942201 where: bonds (distance) C4'-P energy: -120.082 bonds (distance) P-C4' energy: -112.260 flat angles C4'-P-C4' energy: -141.170 flat angles P-C4'-P energy: -93.181 tors. eta vs tors. theta energy: -196.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2160.359457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.359457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.359457 (E_RNA) where: Base-Base interactions energy: -1517.244 where: short stacking energy: -617.263 Base-Backbone interact. energy: 1.942 local terms energy: -645.056828 where: bonds (distance) C4'-P energy: -98.614 bonds (distance) P-C4' energy: -118.615 flat angles C4'-P-C4' energy: -137.068 flat angles P-C4'-P energy: -101.917 tors. eta vs tors. theta energy: -188.842 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: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2074.723331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.723331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.723331 (E_RNA) where: Base-Base interactions energy: -1438.138 where: short stacking energy: -601.715 Base-Backbone interact. energy: -2.248 local terms energy: -634.338179 where: bonds (distance) C4'-P energy: -117.122 bonds (distance) P-C4' energy: -114.730 flat angles C4'-P-C4' energy: -126.684 flat angles P-C4'-P energy: -89.456 tors. eta vs tors. theta energy: -186.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1876.926021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.926021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.926021 (E_RNA) where: Base-Base interactions energy: -1313.330 where: short stacking energy: -527.687 Base-Backbone interact. energy: -1.690 local terms energy: -561.905936 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -110.222 flat angles C4'-P-C4' energy: -121.923 flat angles P-C4'-P energy: -61.156 tors. eta vs tors. theta energy: -150.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1812.307659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.307659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.307659 (E_RNA) where: Base-Base interactions energy: -1265.239 where: short stacking energy: -492.450 Base-Backbone interact. energy: -3.290 local terms energy: -543.779395 where: bonds (distance) C4'-P energy: -101.371 bonds (distance) P-C4' energy: -109.654 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -73.475 tors. eta vs tors. theta energy: -129.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1664.920377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.920377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.920377 (E_RNA) where: Base-Base interactions energy: -1113.547 where: short stacking energy: -502.326 Base-Backbone interact. energy: 1.019 local terms energy: -552.392372 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -122.854 flat angles C4'-P-C4' energy: -110.680 flat angles P-C4'-P energy: -78.319 tors. eta vs tors. theta energy: -142.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1518.153255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.153255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.153255 (E_RNA) where: Base-Base interactions energy: -989.652 where: short stacking energy: -420.148 Base-Backbone interact. energy: 2.623 local terms energy: -531.124335 where: bonds (distance) C4'-P energy: -97.984 bonds (distance) P-C4' energy: -114.161 flat angles C4'-P-C4' energy: -116.110 flat angles P-C4'-P energy: -83.654 tors. eta vs tors. theta energy: -119.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1169.761045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.761045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.761045 (E_RNA) where: Base-Base interactions energy: -749.576 where: short stacking energy: -306.200 Base-Backbone interact. energy: 2.207 local terms energy: -422.392027 where: bonds (distance) C4'-P energy: -101.261 bonds (distance) P-C4' energy: -111.342 flat angles C4'-P-C4' energy: -99.299 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -52.016 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: 3 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1211.921376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.921376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.921376 (E_RNA) where: Base-Base interactions energy: -799.420 where: short stacking energy: -381.919 Base-Backbone interact. energy: 1.794 local terms energy: -414.295734 where: bonds (distance) C4'-P energy: -100.190 bonds (distance) P-C4' energy: -95.880 flat angles C4'-P-C4' energy: -85.094 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -79.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -2349.475097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.475097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.475097 (E_RNA) where: Base-Base interactions energy: -1637.552 where: short stacking energy: -675.096 Base-Backbone interact. energy: -4.445 local terms energy: -707.478434 where: bonds (distance) C4'-P energy: -114.530 bonds (distance) P-C4' energy: -126.807 flat angles C4'-P-C4' energy: -146.927 flat angles P-C4'-P energy: -109.192 tors. eta vs tors. theta energy: -210.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2274.277686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.277686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.277686 (E_RNA) where: Base-Base interactions energy: -1593.167 where: short stacking energy: -645.483 Base-Backbone interact. energy: -0.729 local terms energy: -680.381608 where: bonds (distance) C4'-P energy: -116.037 bonds (distance) P-C4' energy: -125.541 flat angles C4'-P-C4' energy: -150.582 flat angles P-C4'-P energy: -92.733 tors. eta vs tors. theta energy: -195.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2210.813758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.813758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.813758 (E_RNA) where: Base-Base interactions energy: -1553.132 where: short stacking energy: -620.680 Base-Backbone interact. energy: -3.999 local terms energy: -653.682074 where: bonds (distance) C4'-P energy: -105.298 bonds (distance) P-C4' energy: -127.212 flat angles C4'-P-C4' energy: -142.085 flat angles P-C4'-P energy: -95.604 tors. eta vs tors. theta energy: -183.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2128.184268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.184268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.184268 (E_RNA) where: Base-Base interactions energy: -1477.564 where: short stacking energy: -613.197 Base-Backbone interact. energy: -2.511 local terms energy: -648.109709 where: bonds (distance) C4'-P energy: -109.031 bonds (distance) P-C4' energy: -110.379 flat angles C4'-P-C4' energy: -136.334 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -194.903 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: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1921.832132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.832132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.832132 (E_RNA) where: Base-Base interactions energy: -1309.526 where: short stacking energy: -556.616 Base-Backbone interact. energy: -1.356 local terms energy: -610.950307 where: bonds (distance) C4'-P energy: -113.972 bonds (distance) P-C4' energy: -106.889 flat angles C4'-P-C4' energy: -125.581 flat angles P-C4'-P energy: -82.452 tors. eta vs tors. theta energy: -182.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1772.561936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.561936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.561936 (E_RNA) where: Base-Base interactions energy: -1226.711 where: short stacking energy: -485.004 Base-Backbone interact. energy: -1.021 local terms energy: -544.829608 where: bonds (distance) C4'-P energy: -113.987 bonds (distance) P-C4' energy: -110.744 flat angles C4'-P-C4' energy: -115.504 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -133.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1678.863441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.863441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.863441 (E_RNA) where: Base-Base interactions energy: -1160.718 where: short stacking energy: -494.109 Base-Backbone interact. energy: -0.949 local terms energy: -517.196786 where: bonds (distance) C4'-P energy: -96.996 bonds (distance) P-C4' energy: -95.287 flat angles C4'-P-C4' energy: -117.509 flat angles P-C4'-P energy: -66.716 tors. eta vs tors. theta energy: -140.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1490.225275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.225275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.225275 (E_RNA) where: Base-Base interactions energy: -967.966 where: short stacking energy: -411.639 Base-Backbone interact. energy: 0.967 local terms energy: -523.226495 where: bonds (distance) C4'-P energy: -97.229 bonds (distance) P-C4' energy: -101.867 flat angles C4'-P-C4' energy: -123.272 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -115.753 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: 9, replica: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1166.661061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.661061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.661061 (E_RNA) where: Base-Base interactions energy: -756.294 where: short stacking energy: -349.574 Base-Backbone interact. energy: 0.210 local terms energy: -410.577448 where: bonds (distance) C4'-P energy: -92.933 bonds (distance) P-C4' energy: -91.607 flat angles C4'-P-C4' energy: -101.365 flat angles P-C4'-P energy: -52.256 tors. eta vs tors. theta energy: -72.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1157.581957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.581957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.581957 (E_RNA) where: Base-Base interactions energy: -743.212 where: short stacking energy: -341.668 Base-Backbone interact. energy: -3.776 local terms energy: -410.594029 where: bonds (distance) C4'-P energy: -81.362 bonds (distance) P-C4' energy: -97.501 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -61.721 tors. eta vs tors. theta energy: -75.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -2349.559432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.559432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.559432 (E_RNA) where: Base-Base interactions energy: -1635.630 where: short stacking energy: -691.961 Base-Backbone interact. energy: -0.811 local terms energy: -713.118403 where: bonds (distance) C4'-P energy: -132.242 bonds (distance) P-C4' energy: -121.699 flat angles C4'-P-C4' energy: -143.924 flat angles P-C4'-P energy: -103.650 tors. eta vs tors. theta energy: -211.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2248.215874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.215874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.215874 (E_RNA) where: Base-Base interactions energy: -1582.617 where: short stacking energy: -624.617 Base-Backbone interact. energy: -4.343 local terms energy: -661.255817 where: bonds (distance) C4'-P energy: -114.736 bonds (distance) P-C4' energy: -126.638 flat angles C4'-P-C4' energy: -141.040 flat angles P-C4'-P energy: -88.629 tors. eta vs tors. theta energy: -190.212 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: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2204.658569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.658569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.658569 (E_RNA) where: Base-Base interactions energy: -1568.320 where: short stacking energy: -634.666 Base-Backbone interact. energy: -0.673 local terms energy: -635.665740 where: bonds (distance) C4'-P energy: -88.902 bonds (distance) P-C4' energy: -106.458 flat angles C4'-P-C4' energy: -142.390 flat angles P-C4'-P energy: -100.839 tors. eta vs tors. theta energy: -197.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2100.333022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.333022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.333022 (E_RNA) where: Base-Base interactions energy: -1474.214 where: short stacking energy: -620.569 Base-Backbone interact. energy: 2.126 local terms energy: -628.245159 where: bonds (distance) C4'-P energy: -95.559 bonds (distance) P-C4' energy: -111.739 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -90.769 tors. eta vs tors. theta energy: -194.872 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: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1906.079281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.079281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.079281 (E_RNA) where: Base-Base interactions energy: -1302.195 where: short stacking energy: -516.535 Base-Backbone interact. energy: 1.427 local terms energy: -605.310995 where: bonds (distance) C4'-P energy: -115.756 bonds (distance) P-C4' energy: -121.353 flat angles C4'-P-C4' energy: -122.321 flat angles P-C4'-P energy: -89.177 tors. eta vs tors. theta energy: -156.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1799.270126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.270126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.270126 (E_RNA) where: Base-Base interactions energy: -1228.763 where: short stacking energy: -512.034 Base-Backbone interact. energy: -0.021 local terms energy: -570.486474 where: bonds (distance) C4'-P energy: -114.558 bonds (distance) P-C4' energy: -110.616 flat angles C4'-P-C4' energy: -124.254 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: -144.992 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: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1642.675921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.675921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.675921 (E_RNA) where: Base-Base interactions energy: -1106.391 where: short stacking energy: -465.850 Base-Backbone interact. energy: -2.241 local terms energy: -534.044052 where: bonds (distance) C4'-P energy: -108.316 bonds (distance) P-C4' energy: -98.171 flat angles C4'-P-C4' energy: -118.321 flat angles P-C4'-P energy: -76.391 tors. eta vs tors. theta energy: -132.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1480.399518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.399518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.399518 (E_RNA) where: Base-Base interactions energy: -978.672 where: short stacking energy: -430.111 Base-Backbone interact. energy: 3.536 local terms energy: -505.262700 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -101.885 flat angles C4'-P-C4' energy: -114.336 flat angles P-C4'-P energy: -80.833 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: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1212.401951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.401951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.401951 (E_RNA) where: Base-Base interactions energy: -807.353 where: short stacking energy: -333.258 Base-Backbone interact. energy: 2.226 local terms energy: -407.274453 where: bonds (distance) C4'-P energy: -85.425 bonds (distance) P-C4' energy: -86.265 flat angles C4'-P-C4' energy: -114.654 flat angles P-C4'-P energy: -56.110 tors. eta vs tors. theta energy: -64.820 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: 339 Temperature: 1.350000 Total energy: -1173.204505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.204505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.204505 (E_RNA) where: Base-Base interactions energy: -722.889 where: short stacking energy: -341.918 Base-Backbone interact. energy: 2.299 local terms energy: -452.614431 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -102.019 flat angles C4'-P-C4' energy: -101.837 flat angles P-C4'-P energy: -67.537 tors. eta vs tors. theta energy: -87.176 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: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -2374.724231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.724231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.724231 (E_RNA) where: Base-Base interactions energy: -1666.314 where: short stacking energy: -688.697 Base-Backbone interact. energy: -2.794 local terms energy: -705.617041 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -130.058 flat angles C4'-P-C4' energy: -152.875 flat angles P-C4'-P energy: -102.361 tors. eta vs tors. theta energy: -202.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2277.940750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.940750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.940750 (E_RNA) where: Base-Base interactions energy: -1608.622 where: short stacking energy: -659.114 Base-Backbone interact. energy: -3.056 local terms energy: -666.262616 where: bonds (distance) C4'-P energy: -99.776 bonds (distance) P-C4' energy: -132.457 flat angles C4'-P-C4' energy: -132.344 flat angles P-C4'-P energy: -101.584 tors. eta vs tors. theta energy: -200.102 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: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2220.419269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.419269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.419269 (E_RNA) where: Base-Base interactions energy: -1554.496 where: short stacking energy: -638.873 Base-Backbone interact. energy: -1.414 local terms energy: -664.509245 where: bonds (distance) C4'-P energy: -115.343 bonds (distance) P-C4' energy: -116.741 flat angles C4'-P-C4' energy: -147.717 flat angles P-C4'-P energy: -90.397 tors. eta vs tors. theta energy: -194.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2105.505491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.505491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.505491 (E_RNA) where: Base-Base interactions energy: -1487.075 where: short stacking energy: -613.378 Base-Backbone interact. energy: 1.201 local terms energy: -619.632141 where: bonds (distance) C4'-P energy: -116.426 bonds (distance) P-C4' energy: -95.750 flat angles C4'-P-C4' energy: -125.270 flat angles P-C4'-P energy: -88.036 tors. eta vs tors. theta energy: -194.149 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: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1910.115057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.115057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.115057 (E_RNA) where: Base-Base interactions energy: -1338.472 where: short stacking energy: -527.304 Base-Backbone interact. energy: -1.979 local terms energy: -569.663893 where: bonds (distance) C4'-P energy: -111.379 bonds (distance) P-C4' energy: -106.744 flat angles C4'-P-C4' energy: -120.993 flat angles P-C4'-P energy: -75.684 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: 6, replica: 2 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1821.082108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.082108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.082108 (E_RNA) where: Base-Base interactions energy: -1267.330 where: short stacking energy: -489.622 Base-Backbone interact. energy: 0.370 local terms energy: -554.122197 where: bonds (distance) C4'-P energy: -100.372 bonds (distance) P-C4' energy: -114.782 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -86.915 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: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1635.663962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.663962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.663962 (E_RNA) where: Base-Base interactions energy: -1105.642 where: short stacking energy: -468.749 Base-Backbone interact. energy: -1.528 local terms energy: -528.493525 where: bonds (distance) C4'-P energy: -88.764 bonds (distance) P-C4' energy: -113.744 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -84.715 tors. eta vs tors. theta energy: -128.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1493.648613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.648613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.648613 (E_RNA) where: Base-Base interactions energy: -1006.413 where: short stacking energy: -422.364 Base-Backbone interact. energy: 1.714 local terms energy: -488.949346 where: bonds (distance) C4'-P energy: -99.928 bonds (distance) P-C4' energy: -100.948 flat angles C4'-P-C4' energy: -104.633 flat angles P-C4'-P energy: -79.288 tors. eta vs tors. theta energy: -104.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1173.551471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.551471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.551471 (E_RNA) where: Base-Base interactions energy: -775.003 where: short stacking energy: -343.248 Base-Backbone interact. energy: 3.983 local terms energy: -402.532017 where: bonds (distance) C4'-P energy: -77.402 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -101.299 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -67.045 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: 10, replica: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1102.081581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.081581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.081581 (E_RNA) where: Base-Base interactions energy: -673.701 where: short stacking energy: -301.194 Base-Backbone interact. energy: -0.063 local terms energy: -428.317123 where: bonds (distance) C4'-P energy: -98.983 bonds (distance) P-C4' energy: -107.417 flat angles C4'-P-C4' energy: -110.906 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -49.777 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: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -2335.030105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.030105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.030105 (E_RNA) where: Base-Base interactions energy: -1647.412 where: short stacking energy: -667.825 Base-Backbone interact. energy: -0.653 local terms energy: -686.965232 where: bonds (distance) C4'-P energy: -117.910 bonds (distance) P-C4' energy: -122.923 flat angles C4'-P-C4' energy: -146.346 flat angles P-C4'-P energy: -99.198 tors. eta vs tors. theta energy: -200.587 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: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2234.611576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.611576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.611576 (E_RNA) where: Base-Base interactions energy: -1556.201 where: short stacking energy: -643.930 Base-Backbone interact. energy: -1.439 local terms energy: -676.970839 where: bonds (distance) C4'-P energy: -123.044 bonds (distance) P-C4' energy: -122.763 flat angles C4'-P-C4' energy: -137.694 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -191.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2193.069867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.069867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.069867 (E_RNA) where: Base-Base interactions energy: -1522.777 where: short stacking energy: -613.909 Base-Backbone interact. energy: -3.663 local terms energy: -666.629258 where: bonds (distance) C4'-P energy: -113.457 bonds (distance) P-C4' energy: -123.971 flat angles C4'-P-C4' energy: -139.717 flat angles P-C4'-P energy: -95.937 tors. eta vs tors. theta energy: -193.546 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: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2109.100561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.100561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.100561 (E_RNA) where: Base-Base interactions energy: -1460.710 where: short stacking energy: -600.068 Base-Backbone interact. energy: 1.981 local terms energy: -650.371275 where: bonds (distance) C4'-P energy: -118.798 bonds (distance) P-C4' energy: -110.106 flat angles C4'-P-C4' energy: -135.258 flat angles P-C4'-P energy: -95.600 tors. eta vs tors. theta energy: -190.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1904.163606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.163606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.163606 (E_RNA) where: Base-Base interactions energy: -1317.840 where: short stacking energy: -532.195 Base-Backbone interact. energy: -2.026 local terms energy: -584.297268 where: bonds (distance) C4'-P energy: -109.929 bonds (distance) P-C4' energy: -106.248 flat angles C4'-P-C4' energy: -125.686 flat angles P-C4'-P energy: -82.057 tors. eta vs tors. theta energy: -160.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1821.437967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.437967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.437967 (E_RNA) where: Base-Base interactions energy: -1258.180 where: short stacking energy: -517.238 Base-Backbone interact. energy: 2.593 local terms energy: -565.850132 where: bonds (distance) C4'-P energy: -95.659 bonds (distance) P-C4' energy: -114.317 flat angles C4'-P-C4' energy: -121.524 flat angles P-C4'-P energy: -82.539 tors. eta vs tors. theta energy: -151.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1663.515844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.515844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.515844 (E_RNA) where: Base-Base interactions energy: -1132.876 where: short stacking energy: -478.384 Base-Backbone interact. energy: -0.321 local terms energy: -530.319022 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -110.681 flat angles C4'-P-C4' energy: -115.418 flat angles P-C4'-P energy: -69.820 tors. eta vs tors. theta energy: -128.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1503.524718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.524718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.524718 (E_RNA) where: Base-Base interactions energy: -991.029 where: short stacking energy: -405.858 Base-Backbone interact. energy: 0.634 local terms energy: -513.130142 where: bonds (distance) C4'-P energy: -121.632 bonds (distance) P-C4' energy: -94.359 flat angles C4'-P-C4' energy: -119.404 flat angles P-C4'-P energy: -70.805 tors. eta vs tors. theta energy: -106.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1208.898611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.898611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.898611 (E_RNA) where: Base-Base interactions energy: -764.505 where: short stacking energy: -324.747 Base-Backbone interact. energy: -1.549 local terms energy: -442.844579 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -93.066 flat angles C4'-P-C4' energy: -103.282 flat angles P-C4'-P energy: -61.590 tors. eta vs tors. theta energy: -68.501 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: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1105.195398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.195398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.195398 (E_RNA) where: Base-Base interactions energy: -706.007 where: short stacking energy: -309.637 Base-Backbone interact. energy: 5.443 local terms energy: -404.631898 where: bonds (distance) C4'-P energy: -90.933 bonds (distance) P-C4' energy: -104.030 flat angles C4'-P-C4' energy: -100.143 flat angles P-C4'-P energy: -49.534 tors. eta vs tors. theta energy: -59.993 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: 1, replica: 8 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -2352.921117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.921117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.921117 (E_RNA) where: Base-Base interactions energy: -1667.038 where: short stacking energy: -679.384 Base-Backbone interact. energy: -3.900 local terms energy: -681.983645 where: bonds (distance) C4'-P energy: -115.111 bonds (distance) P-C4' energy: -126.606 flat angles C4'-P-C4' energy: -136.762 flat angles P-C4'-P energy: -92.962 tors. eta vs tors. theta energy: -210.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2258.213205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.213205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.213205 (E_RNA) where: Base-Base interactions energy: -1571.652 where: short stacking energy: -649.487 Base-Backbone interact. energy: -1.424 local terms energy: -685.137116 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -127.975 flat angles C4'-P-C4' energy: -140.445 flat angles P-C4'-P energy: -102.142 tors. eta vs tors. theta energy: -193.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2200.415626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.415626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.415626 (E_RNA) where: Base-Base interactions energy: -1543.031 where: short stacking energy: -622.042 Base-Backbone interact. energy: -2.510 local terms energy: -654.875070 where: bonds (distance) C4'-P energy: -110.679 bonds (distance) P-C4' energy: -118.998 flat angles C4'-P-C4' energy: -141.127 flat angles P-C4'-P energy: -90.207 tors. eta vs tors. theta energy: -193.864 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: 9 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2094.894367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.894367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.894367 (E_RNA) where: Base-Base interactions energy: -1476.428 where: short stacking energy: -613.328 Base-Backbone interact. energy: -2.694 local terms energy: -615.772832 where: bonds (distance) C4'-P energy: -118.121 bonds (distance) P-C4' energy: -100.843 flat angles C4'-P-C4' energy: -134.547 flat angles P-C4'-P energy: -80.945 tors. eta vs tors. theta energy: -181.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1922.189985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.189985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.189985 (E_RNA) where: Base-Base interactions energy: -1350.391 where: short stacking energy: -535.009 Base-Backbone interact. energy: -2.144 local terms energy: -569.655501 where: bonds (distance) C4'-P energy: -109.538 bonds (distance) P-C4' energy: -103.858 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -73.939 tors. eta vs tors. theta energy: -149.821 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: 342 Temperature: 1.150000 Total energy: -1838.813864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.813864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.813864 (E_RNA) where: Base-Base interactions energy: -1265.567 where: short stacking energy: -518.442 Base-Backbone interact. energy: 2.559 local terms energy: -575.805932 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -105.927 flat angles C4'-P-C4' energy: -130.656 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -153.692 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: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1656.185462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.185462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.185462 (E_RNA) where: Base-Base interactions energy: -1120.008 where: short stacking energy: -475.648 Base-Backbone interact. energy: -1.109 local terms energy: -535.067785 where: bonds (distance) C4'-P energy: -98.583 bonds (distance) P-C4' energy: -108.733 flat angles C4'-P-C4' energy: -124.234 flat angles P-C4'-P energy: -61.783 tors. eta vs tors. theta energy: -141.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1485.136008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.136008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.136008 (E_RNA) where: Base-Base interactions energy: -1005.633 where: short stacking energy: -428.155 Base-Backbone interact. energy: -0.373 local terms energy: -479.129346 where: bonds (distance) C4'-P energy: -101.532 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -101.573 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -109.349 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: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1252.039881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.039881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.039881 (E_RNA) where: Base-Base interactions energy: -795.889 where: short stacking energy: -353.684 Base-Backbone interact. energy: -1.135 local terms energy: -455.016306 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -116.347 flat angles C4'-P-C4' energy: -115.456 flat angles P-C4'-P energy: -59.571 tors. eta vs tors. theta energy: -72.812 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: 342 Temperature: 1.350000 Total energy: -1106.977988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.977988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.977988 (E_RNA) where: Base-Base interactions energy: -739.557 where: short stacking energy: -346.461 Base-Backbone interact. energy: -0.449 local terms energy: -366.972977 where: bonds (distance) C4'-P energy: -95.550 bonds (distance) P-C4' energy: -73.290 flat angles C4'-P-C4' energy: -93.869 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: -59.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -2353.010023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.010023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.010023 (E_RNA) where: Base-Base interactions energy: -1665.366 where: short stacking energy: -679.441 Base-Backbone interact. energy: 4.381 local terms energy: -692.025480 where: bonds (distance) C4'-P energy: -121.800 bonds (distance) P-C4' energy: -123.562 flat angles C4'-P-C4' energy: -137.435 flat angles P-C4'-P energy: -100.579 tors. eta vs tors. theta energy: -208.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2233.223915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.223915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.223915 (E_RNA) where: Base-Base interactions energy: -1567.643 where: short stacking energy: -624.252 Base-Backbone interact. energy: -1.479 local terms energy: -664.102054 where: bonds (distance) C4'-P energy: -121.251 bonds (distance) P-C4' energy: -124.843 flat angles C4'-P-C4' energy: -132.815 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -187.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2217.710227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.710227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.710227 (E_RNA) where: Base-Base interactions energy: -1565.790 where: short stacking energy: -633.556 Base-Backbone interact. energy: -1.209 local terms energy: -650.711153 where: bonds (distance) C4'-P energy: -120.998 bonds (distance) P-C4' energy: -115.216 flat angles C4'-P-C4' energy: -136.547 flat angles P-C4'-P energy: -96.761 tors. eta vs tors. theta energy: -181.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2069.323601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.323601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.323601 (E_RNA) where: Base-Base interactions energy: -1451.438 where: short stacking energy: -596.882 Base-Backbone interact. energy: -1.995 local terms energy: -615.890147 where: bonds (distance) C4'-P energy: -98.196 bonds (distance) P-C4' energy: -113.778 flat angles C4'-P-C4' energy: -137.389 flat angles P-C4'-P energy: -85.378 tors. eta vs tors. theta energy: -181.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1909.100946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.100946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.100946 (E_RNA) where: Base-Base interactions energy: -1347.333 where: short stacking energy: -531.624 Base-Backbone interact. energy: 5.492 local terms energy: -567.259243 where: bonds (distance) C4'-P energy: -103.717 bonds (distance) P-C4' energy: -108.604 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -78.043 tors. eta vs tors. theta energy: -152.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1858.622011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.622011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.622011 (E_RNA) where: Base-Base interactions energy: -1262.826 where: short stacking energy: -533.465 Base-Backbone interact. energy: -1.653 local terms energy: -594.143302 where: bonds (distance) C4'-P energy: -116.541 bonds (distance) P-C4' energy: -113.505 flat angles C4'-P-C4' energy: -124.390 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -168.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1617.209802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.209802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.209802 (E_RNA) where: Base-Base interactions energy: -1088.821 where: short stacking energy: -465.984 Base-Backbone interact. energy: 0.304 local terms energy: -528.693212 where: bonds (distance) C4'-P energy: -108.027 bonds (distance) P-C4' energy: -106.515 flat angles C4'-P-C4' energy: -107.922 flat angles P-C4'-P energy: -68.494 tors. eta vs tors. theta energy: -137.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1513.597527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.597527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.597527 (E_RNA) where: Base-Base interactions energy: -1014.779 where: short stacking energy: -447.219 Base-Backbone interact. energy: -1.434 local terms energy: -497.384993 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -107.515 flat angles C4'-P-C4' energy: -102.006 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: -116.574 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: 3 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1234.418213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.418213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.418213 (E_RNA) where: Base-Base interactions energy: -764.560 where: short stacking energy: -335.397 Base-Backbone interact. energy: 2.924 local terms energy: -472.782809 where: bonds (distance) C4'-P energy: -87.752 bonds (distance) P-C4' energy: -113.828 flat angles C4'-P-C4' energy: -119.101 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: -69.843 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: 343 Temperature: 1.350000 Total energy: -1130.353695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.353695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.353695 (E_RNA) where: Base-Base interactions energy: -726.028 where: short stacking energy: -328.539 Base-Backbone interact. energy: 1.391 local terms energy: -405.716786 where: bonds (distance) C4'-P energy: -86.989 bonds (distance) P-C4' energy: -104.455 flat angles C4'-P-C4' energy: -77.157 flat angles P-C4'-P energy: -71.143 tors. eta vs tors. theta energy: -65.972 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: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -2355.308460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.308460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.308460 (E_RNA) where: Base-Base interactions energy: -1673.469 where: short stacking energy: -684.116 Base-Backbone interact. energy: 0.573 local terms energy: -682.412392 where: bonds (distance) C4'-P energy: -109.803 bonds (distance) P-C4' energy: -132.881 flat angles C4'-P-C4' energy: -137.627 flat angles P-C4'-P energy: -96.362 tors. eta vs tors. theta energy: -205.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2211.996050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.996050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.996050 (E_RNA) where: Base-Base interactions energy: -1548.783 where: short stacking energy: -625.972 Base-Backbone interact. energy: -5.315 local terms energy: -657.898280 where: bonds (distance) C4'-P energy: -122.374 bonds (distance) P-C4' energy: -121.509 flat angles C4'-P-C4' energy: -136.747 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -193.521 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: 3, replica: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2233.275895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.275895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.275895 (E_RNA) where: Base-Base interactions energy: -1560.951 where: short stacking energy: -608.364 Base-Backbone interact. energy: -2.976 local terms energy: -669.349124 where: bonds (distance) C4'-P energy: -124.127 bonds (distance) P-C4' energy: -127.863 flat angles C4'-P-C4' energy: -140.062 flat angles P-C4'-P energy: -95.754 tors. eta vs tors. theta energy: -181.543 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: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2059.491169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.491169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.491169 (E_RNA) where: Base-Base interactions energy: -1427.224 where: short stacking energy: -592.836 Base-Backbone interact. energy: -2.942 local terms energy: -629.324798 where: bonds (distance) C4'-P energy: -108.573 bonds (distance) P-C4' energy: -120.170 flat angles C4'-P-C4' energy: -131.091 flat angles P-C4'-P energy: -97.285 tors. eta vs tors. theta energy: -172.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1912.524711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.524711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.524711 (E_RNA) where: Base-Base interactions energy: -1328.796 where: short stacking energy: -531.548 Base-Backbone interact. energy: -3.673 local terms energy: -580.055798 where: bonds (distance) C4'-P energy: -103.545 bonds (distance) P-C4' energy: -110.062 flat angles C4'-P-C4' energy: -130.083 flat angles P-C4'-P energy: -76.224 tors. eta vs tors. theta energy: -160.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1828.774468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.774468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.774468 (E_RNA) where: Base-Base interactions energy: -1255.022 where: short stacking energy: -512.477 Base-Backbone interact. energy: 2.843 local terms energy: -576.595727 where: bonds (distance) C4'-P energy: -119.404 bonds (distance) P-C4' energy: -104.690 flat angles C4'-P-C4' energy: -131.139 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -145.742 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: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1637.588901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.588901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.588901 (E_RNA) where: Base-Base interactions energy: -1104.734 where: short stacking energy: -474.245 Base-Backbone interact. energy: 1.898 local terms energy: -534.752412 where: bonds (distance) C4'-P energy: -101.567 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -116.382 flat angles P-C4'-P energy: -79.559 tors. eta vs tors. theta energy: -136.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1529.722239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.722239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.722239 (E_RNA) where: Base-Base interactions energy: -1016.569 where: short stacking energy: -427.811 Base-Backbone interact. energy: 3.011 local terms energy: -516.164829 where: bonds (distance) C4'-P energy: -105.016 bonds (distance) P-C4' energy: -114.382 flat angles C4'-P-C4' energy: -104.655 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -114.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1204.203212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.203212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.203212 (E_RNA) where: Base-Base interactions energy: -770.517 where: short stacking energy: -326.264 Base-Backbone interact. energy: 0.075 local terms energy: -433.761829 where: bonds (distance) C4'-P energy: -110.205 bonds (distance) P-C4' energy: -92.766 flat angles C4'-P-C4' energy: -100.112 flat angles P-C4'-P energy: -57.942 tors. eta vs tors. theta energy: -72.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1118.966764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.966764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.966764 (E_RNA) where: Base-Base interactions energy: -715.357 where: short stacking energy: -303.753 Base-Backbone interact. energy: 2.404 local terms energy: -406.013062 where: bonds (distance) C4'-P energy: -88.305 bonds (distance) P-C4' energy: -103.100 flat angles C4'-P-C4' energy: -104.486 flat angles P-C4'-P energy: -49.571 tors. eta vs tors. theta energy: -60.551 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: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -2367.093386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.093386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.093386 (E_RNA) where: Base-Base interactions energy: -1660.917 where: short stacking energy: -675.202 Base-Backbone interact. energy: -0.622 local terms energy: -705.554460 where: bonds (distance) C4'-P energy: -116.052 bonds (distance) P-C4' energy: -125.523 flat angles C4'-P-C4' energy: -151.939 flat angles P-C4'-P energy: -103.282 tors. eta vs tors. theta energy: -208.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2253.074187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.074187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.074187 (E_RNA) where: Base-Base interactions energy: -1587.966 where: short stacking energy: -629.853 Base-Backbone interact. energy: -2.478 local terms energy: -662.629839 where: bonds (distance) C4'-P energy: -118.386 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -135.035 flat angles P-C4'-P energy: -97.681 tors. eta vs tors. theta energy: -190.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2193.989304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.989304 (E_RNA) where: Base-Base interactions energy: -1564.884 where: short stacking energy: -622.813 Base-Backbone interact. energy: -2.342 local terms energy: -626.763359 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -120.211 flat angles C4'-P-C4' energy: -131.101 flat angles P-C4'-P energy: -98.537 tors. eta vs tors. theta energy: -168.043 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: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2090.114735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.114735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.114735 (E_RNA) where: Base-Base interactions energy: -1455.140 where: short stacking energy: -550.217 Base-Backbone interact. energy: 0.179 local terms energy: -635.153966 where: bonds (distance) C4'-P energy: -118.946 bonds (distance) P-C4' energy: -112.099 flat angles C4'-P-C4' energy: -134.265 flat angles P-C4'-P energy: -106.262 tors. eta vs tors. theta energy: -163.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1922.808429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.808429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.808429 (E_RNA) where: Base-Base interactions energy: -1324.677 where: short stacking energy: -526.731 Base-Backbone interact. energy: 0.248 local terms energy: -598.379306 where: bonds (distance) C4'-P energy: -120.083 bonds (distance) P-C4' energy: -103.583 flat angles C4'-P-C4' energy: -139.046 flat angles P-C4'-P energy: -69.980 tors. eta vs tors. theta energy: -165.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1800.229897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.229897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.229897 (E_RNA) where: Base-Base interactions energy: -1256.808 where: short stacking energy: -516.106 Base-Backbone interact. energy: 0.506 local terms energy: -543.927777 where: bonds (distance) C4'-P energy: -93.216 bonds (distance) P-C4' energy: -96.733 flat angles C4'-P-C4' energy: -127.455 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -149.943 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: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1624.776410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.776410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.776410 (E_RNA) where: Base-Base interactions energy: -1096.853 where: short stacking energy: -447.746 Base-Backbone interact. energy: -2.162 local terms energy: -525.760692 where: bonds (distance) C4'-P energy: -105.429 bonds (distance) P-C4' energy: -110.013 flat angles C4'-P-C4' energy: -114.794 flat angles P-C4'-P energy: -70.967 tors. eta vs tors. theta energy: -124.558 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: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1521.553875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.553875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.553875 (E_RNA) where: Base-Base interactions energy: -1012.912 where: short stacking energy: -425.853 Base-Backbone interact. energy: 1.478 local terms energy: -510.119947 where: bonds (distance) C4'-P energy: -92.348 bonds (distance) P-C4' energy: -120.001 flat angles C4'-P-C4' energy: -97.378 flat angles P-C4'-P energy: -93.461 tors. eta vs tors. theta energy: -106.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1185.029220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.029220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.029220 (E_RNA) where: Base-Base interactions energy: -758.763 where: short stacking energy: -319.850 Base-Backbone interact. energy: -1.265 local terms energy: -425.000902 where: bonds (distance) C4'-P energy: -93.651 bonds (distance) P-C4' energy: -101.168 flat angles C4'-P-C4' energy: -111.049 flat angles P-C4'-P energy: -52.349 tors. eta vs tors. theta energy: -66.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1132.394667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.394667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.394667 (E_RNA) where: Base-Base interactions energy: -719.675 where: short stacking energy: -300.467 Base-Backbone interact. energy: -0.999 local terms energy: -411.721028 where: bonds (distance) C4'-P energy: -86.006 bonds (distance) P-C4' energy: -106.190 flat angles C4'-P-C4' energy: -106.072 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -58.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -2365.261542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.261542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.261542 (E_RNA) where: Base-Base interactions energy: -1666.244 where: short stacking energy: -675.504 Base-Backbone interact. energy: -2.220 local terms energy: -696.797815 where: bonds (distance) C4'-P energy: -127.235 bonds (distance) P-C4' energy: -138.185 flat angles C4'-P-C4' energy: -130.447 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -204.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2244.921071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.921071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.921071 (E_RNA) where: Base-Base interactions energy: -1581.880 where: short stacking energy: -639.582 Base-Backbone interact. energy: -3.090 local terms energy: -659.951588 where: bonds (distance) C4'-P energy: -109.984 bonds (distance) P-C4' energy: -114.814 flat angles C4'-P-C4' energy: -135.636 flat angles P-C4'-P energy: -101.774 tors. eta vs tors. theta energy: -197.744 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: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2174.143373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.143373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.143373 (E_RNA) where: Base-Base interactions energy: -1563.175 where: short stacking energy: -646.201 Base-Backbone interact. energy: -2.083 local terms energy: -608.885859 where: bonds (distance) C4'-P energy: -98.534 bonds (distance) P-C4' energy: -95.508 flat angles C4'-P-C4' energy: -138.040 flat angles P-C4'-P energy: -84.781 tors. eta vs tors. theta energy: -192.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2092.756015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.756015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.756015 (E_RNA) where: Base-Base interactions energy: -1458.455 where: short stacking energy: -573.881 Base-Backbone interact. energy: 0.352 local terms energy: -634.653203 where: bonds (distance) C4'-P energy: -117.264 bonds (distance) P-C4' energy: -104.742 flat angles C4'-P-C4' energy: -139.031 flat angles P-C4'-P energy: -105.127 tors. eta vs tors. theta energy: -168.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1913.945869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.945869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.945869 (E_RNA) where: Base-Base interactions energy: -1350.286 where: short stacking energy: -561.023 Base-Backbone interact. energy: -3.356 local terms energy: -560.304143 where: bonds (distance) C4'-P energy: -101.948 bonds (distance) P-C4' energy: -108.509 flat angles C4'-P-C4' energy: -113.873 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -160.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1850.923488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.923488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.923488 (E_RNA) where: Base-Base interactions energy: -1262.695 where: short stacking energy: -522.102 Base-Backbone interact. energy: 1.080 local terms energy: -589.309399 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -110.588 flat angles C4'-P-C4' energy: -121.521 flat angles P-C4'-P energy: -78.974 tors. eta vs tors. theta energy: -152.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1580.814791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.814791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.814791 (E_RNA) where: Base-Base interactions energy: -1087.740 where: short stacking energy: -465.326 Base-Backbone interact. energy: 0.661 local terms energy: -493.735961 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -96.773 flat angles C4'-P-C4' energy: -118.578 flat angles P-C4'-P energy: -62.722 tors. eta vs tors. theta energy: -132.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1560.340757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.340757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.340757 (E_RNA) where: Base-Base interactions energy: -1038.413 where: short stacking energy: -417.410 Base-Backbone interact. energy: -0.355 local terms energy: -521.573017 where: bonds (distance) C4'-P energy: -107.765 bonds (distance) P-C4' energy: -120.915 flat angles C4'-P-C4' energy: -114.021 flat angles P-C4'-P energy: -71.431 tors. eta vs tors. theta energy: -107.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1263.570756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.570756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.570756 (E_RNA) where: Base-Base interactions energy: -798.349 where: short stacking energy: -350.467 Base-Backbone interact. energy: 0.543 local terms energy: -465.764688 where: bonds (distance) C4'-P energy: -104.678 bonds (distance) P-C4' energy: -105.998 flat angles C4'-P-C4' energy: -103.944 flat angles P-C4'-P energy: -66.683 tors. eta vs tors. theta energy: -84.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1166.714094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.714094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.714094 (E_RNA) where: Base-Base interactions energy: -759.598 where: short stacking energy: -310.099 Base-Backbone interact. energy: -0.856 local terms energy: -406.260345 where: bonds (distance) C4'-P energy: -98.429 bonds (distance) P-C4' energy: -107.153 flat angles C4'-P-C4' energy: -82.507 flat angles P-C4'-P energy: -53.130 tors. eta vs tors. theta energy: -65.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -2349.906588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.906588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.906588 (E_RNA) where: Base-Base interactions energy: -1663.063 where: short stacking energy: -680.140 Base-Backbone interact. energy: -2.002 local terms energy: -684.841682 where: bonds (distance) C4'-P energy: -111.690 bonds (distance) P-C4' energy: -119.228 flat angles C4'-P-C4' energy: -139.426 flat angles P-C4'-P energy: -102.502 tors. eta vs tors. theta energy: -211.997 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: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2263.682991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.682991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.682991 (E_RNA) where: Base-Base interactions energy: -1585.215 where: short stacking energy: -633.354 Base-Backbone interact. energy: -4.719 local terms energy: -673.748402 where: bonds (distance) C4'-P energy: -124.528 bonds (distance) P-C4' energy: -111.100 flat angles C4'-P-C4' energy: -139.477 flat angles P-C4'-P energy: -105.157 tors. eta vs tors. theta energy: -193.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2190.721960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.721960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.721960 (E_RNA) where: Base-Base interactions energy: -1534.792 where: short stacking energy: -621.706 Base-Backbone interact. energy: -1.158 local terms energy: -654.771626 where: bonds (distance) C4'-P energy: -114.221 bonds (distance) P-C4' energy: -121.377 flat angles C4'-P-C4' energy: -147.112 flat angles P-C4'-P energy: -82.115 tors. eta vs tors. theta energy: -189.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2076.936850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.936850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.936850 (E_RNA) where: Base-Base interactions energy: -1436.789 where: short stacking energy: -588.292 Base-Backbone interact. energy: -1.002 local terms energy: -639.145653 where: bonds (distance) C4'-P energy: -108.757 bonds (distance) P-C4' energy: -114.967 flat angles C4'-P-C4' energy: -145.863 flat angles P-C4'-P energy: -99.822 tors. eta vs tors. theta energy: -169.736 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: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1900.317129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.317129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.317129 (E_RNA) where: Base-Base interactions energy: -1343.055 where: short stacking energy: -555.762 Base-Backbone interact. energy: 0.767 local terms energy: -558.028841 where: bonds (distance) C4'-P energy: -102.666 bonds (distance) P-C4' energy: -108.387 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: -148.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1765.989806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.989806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.989806 (E_RNA) where: Base-Base interactions energy: -1221.481 where: short stacking energy: -511.066 Base-Backbone interact. energy: -3.410 local terms energy: -541.098904 where: bonds (distance) C4'-P energy: -102.698 bonds (distance) P-C4' energy: -107.521 flat angles C4'-P-C4' energy: -125.094 flat angles P-C4'-P energy: -60.065 tors. eta vs tors. theta energy: -145.721 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: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1589.398501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.398501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.398501 (E_RNA) where: Base-Base interactions energy: -1074.664 where: short stacking energy: -477.728 Base-Backbone interact. energy: -0.271 local terms energy: -514.463896 where: bonds (distance) C4'-P energy: -82.411 bonds (distance) P-C4' energy: -99.286 flat angles C4'-P-C4' energy: -123.567 flat angles P-C4'-P energy: -87.558 tors. eta vs tors. theta energy: -121.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1495.924210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.924210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.924210 (E_RNA) where: Base-Base interactions energy: -988.086 where: short stacking energy: -423.511 Base-Backbone interact. energy: 0.524 local terms energy: -508.362303 where: bonds (distance) C4'-P energy: -86.522 bonds (distance) P-C4' energy: -105.848 flat angles C4'-P-C4' energy: -122.367 flat angles P-C4'-P energy: -73.074 tors. eta vs tors. theta energy: -120.551 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: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1219.778857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.778857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.778857 (E_RNA) where: Base-Base interactions energy: -778.156 where: short stacking energy: -357.425 Base-Backbone interact. energy: -2.421 local terms energy: -439.201987 where: bonds (distance) C4'-P energy: -108.699 bonds (distance) P-C4' energy: -98.837 flat angles C4'-P-C4' energy: -101.642 flat angles P-C4'-P energy: -55.598 tors. eta vs tors. theta energy: -74.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1125.109437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.109437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.109437 (E_RNA) where: Base-Base interactions energy: -711.900 where: short stacking energy: -322.862 Base-Backbone interact. energy: -0.904 local terms energy: -412.306156 where: bonds (distance) C4'-P energy: -82.780 bonds (distance) P-C4' energy: -114.019 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: -59.455 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: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -2360.408524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.408524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.408524 (E_RNA) where: Base-Base interactions energy: -1651.054 where: short stacking energy: -684.866 Base-Backbone interact. energy: -1.095 local terms energy: -708.259765 where: bonds (distance) C4'-P energy: -130.280 bonds (distance) P-C4' energy: -119.140 flat angles C4'-P-C4' energy: -140.924 flat angles P-C4'-P energy: -101.026 tors. eta vs tors. theta energy: -216.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2247.891219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.891219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.891219 (E_RNA) where: Base-Base interactions energy: -1590.432 where: short stacking energy: -627.297 Base-Backbone interact. energy: -2.005 local terms energy: -655.454426 where: bonds (distance) C4'-P energy: -117.163 bonds (distance) P-C4' energy: -105.947 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -92.546 tors. eta vs tors. theta energy: -198.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2189.215912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.215912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.215912 (E_RNA) where: Base-Base interactions energy: -1550.385 where: short stacking energy: -632.617 Base-Backbone interact. energy: -0.276 local terms energy: -638.554896 where: bonds (distance) C4'-P energy: -123.425 bonds (distance) P-C4' energy: -113.367 flat angles C4'-P-C4' energy: -124.538 flat angles P-C4'-P energy: -89.440 tors. eta vs tors. theta energy: -187.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2110.844538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.844538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.844538 (E_RNA) where: Base-Base interactions energy: -1473.818 where: short stacking energy: -597.285 Base-Backbone interact. energy: -0.917 local terms energy: -636.109575 where: bonds (distance) C4'-P energy: -112.382 bonds (distance) P-C4' energy: -111.645 flat angles C4'-P-C4' energy: -139.883 flat angles P-C4'-P energy: -90.889 tors. eta vs tors. theta energy: -181.310 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: 2 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1915.020769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.020769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.020769 (E_RNA) where: Base-Base interactions energy: -1338.545 where: short stacking energy: -540.292 Base-Backbone interact. energy: 1.240 local terms energy: -577.715408 where: bonds (distance) C4'-P energy: -103.275 bonds (distance) P-C4' energy: -103.301 flat angles C4'-P-C4' energy: -116.758 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -162.821 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: 348 Temperature: 1.150000 Total energy: -1780.607749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.607749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.607749 (E_RNA) where: Base-Base interactions energy: -1205.269 where: short stacking energy: -494.127 Base-Backbone interact. energy: -1.913 local terms energy: -573.425686 where: bonds (distance) C4'-P energy: -127.540 bonds (distance) P-C4' energy: -114.054 flat angles C4'-P-C4' energy: -111.755 flat angles P-C4'-P energy: -86.509 tors. eta vs tors. theta energy: -133.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1595.789375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.789375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.789375 (E_RNA) where: Base-Base interactions energy: -1094.069 where: short stacking energy: -478.810 Base-Backbone interact. energy: -0.756 local terms energy: -500.964737 where: bonds (distance) C4'-P energy: -101.227 bonds (distance) P-C4' energy: -87.092 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: -132.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1508.593094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.593094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.593094 (E_RNA) where: Base-Base interactions energy: -1006.807 where: short stacking energy: -447.598 Base-Backbone interact. energy: -0.529 local terms energy: -501.256992 where: bonds (distance) C4'-P energy: -102.889 bonds (distance) P-C4' energy: -94.060 flat angles C4'-P-C4' energy: -113.548 flat angles P-C4'-P energy: -79.870 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: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1260.998747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.998747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.998747 (E_RNA) where: Base-Base interactions energy: -809.905 where: short stacking energy: -357.430 Base-Backbone interact. energy: 3.164 local terms energy: -454.257955 where: bonds (distance) C4'-P energy: -106.695 bonds (distance) P-C4' energy: -100.928 flat angles C4'-P-C4' energy: -103.671 flat angles P-C4'-P energy: -67.927 tors. eta vs tors. theta energy: -75.037 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: 3 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1163.215048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.215048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.215048 (E_RNA) where: Base-Base interactions energy: -740.850 where: short stacking energy: -321.471 Base-Backbone interact. energy: -0.379 local terms energy: -421.985153 where: bonds (distance) C4'-P energy: -82.055 bonds (distance) P-C4' energy: -104.094 flat angles C4'-P-C4' energy: -104.817 flat angles P-C4'-P energy: -70.875 tors. eta vs tors. theta energy: -60.144 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: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -2356.685515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.685515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.685515 (E_RNA) where: Base-Base interactions energy: -1648.285 where: short stacking energy: -672.022 Base-Backbone interact. energy: -3.363 local terms energy: -705.037086 where: bonds (distance) C4'-P energy: -126.687 bonds (distance) P-C4' energy: -119.710 flat angles C4'-P-C4' energy: -144.997 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -215.582 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: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2228.329302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.329302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.329302 (E_RNA) where: Base-Base interactions energy: -1541.409 where: short stacking energy: -624.468 Base-Backbone interact. energy: -1.084 local terms energy: -685.836607 where: bonds (distance) C4'-P energy: -126.947 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -121.072 flat angles P-C4'-P energy: -109.173 tors. eta vs tors. theta energy: -196.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2166.256431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.256431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.256431 (E_RNA) where: Base-Base interactions energy: -1526.614 where: short stacking energy: -630.349 Base-Backbone interact. energy: 1.209 local terms energy: -640.851798 where: bonds (distance) C4'-P energy: -108.587 bonds (distance) P-C4' energy: -116.482 flat angles C4'-P-C4' energy: -136.360 flat angles P-C4'-P energy: -93.400 tors. eta vs tors. theta energy: -186.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2011.608563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.608563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.608563 (E_RNA) where: Base-Base interactions energy: -1436.138 where: short stacking energy: -572.951 Base-Backbone interact. energy: -0.673 local terms energy: -574.797690 where: bonds (distance) C4'-P energy: -96.740 bonds (distance) P-C4' energy: -108.610 flat angles C4'-P-C4' energy: -117.817 flat angles P-C4'-P energy: -90.544 tors. eta vs tors. theta energy: -161.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2001.317343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.317343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.317343 (E_RNA) where: Base-Base interactions energy: -1385.427 where: short stacking energy: -568.816 Base-Backbone interact. energy: 1.389 local terms energy: -617.279827 where: bonds (distance) C4'-P energy: -119.820 bonds (distance) P-C4' energy: -104.927 flat angles C4'-P-C4' energy: -134.474 flat angles P-C4'-P energy: -87.448 tors. eta vs tors. theta energy: -170.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1824.986496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.986496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.986496 (E_RNA) where: Base-Base interactions energy: -1259.590 where: short stacking energy: -497.958 Base-Backbone interact. energy: 1.528 local terms energy: -566.924905 where: bonds (distance) C4'-P energy: -108.363 bonds (distance) P-C4' energy: -107.544 flat angles C4'-P-C4' energy: -127.766 flat angles P-C4'-P energy: -72.278 tors. eta vs tors. theta energy: -150.973 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1590.243257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.243257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.243257 (E_RNA) where: Base-Base interactions energy: -1086.343 where: short stacking energy: -465.301 Base-Backbone interact. energy: -2.743 local terms energy: -501.156968 where: bonds (distance) C4'-P energy: -104.615 bonds (distance) P-C4' energy: -95.932 flat angles C4'-P-C4' energy: -118.585 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -121.057 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: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1542.890041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.890041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.890041 (E_RNA) where: Base-Base interactions energy: -1045.442 where: short stacking energy: -453.079 Base-Backbone interact. energy: -0.316 local terms energy: -497.132085 where: bonds (distance) C4'-P energy: -103.190 bonds (distance) P-C4' energy: -99.317 flat angles C4'-P-C4' energy: -113.179 flat angles P-C4'-P energy: -51.947 tors. eta vs tors. theta energy: -129.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1278.295853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.295853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.295853 (E_RNA) where: Base-Base interactions energy: -852.114 where: short stacking energy: -354.381 Base-Backbone interact. energy: 0.988 local terms energy: -427.170431 where: bonds (distance) C4'-P energy: -94.194 bonds (distance) P-C4' energy: -96.890 flat angles C4'-P-C4' energy: -92.742 flat angles P-C4'-P energy: -64.131 tors. eta vs tors. theta energy: -79.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1133.501253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.501253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.501253 (E_RNA) where: Base-Base interactions energy: -730.501 where: short stacking energy: -316.961 Base-Backbone interact. energy: -3.801 local terms energy: -399.199042 where: bonds (distance) C4'-P energy: -98.864 bonds (distance) P-C4' energy: -111.005 flat angles C4'-P-C4' energy: -88.298 flat angles P-C4'-P energy: -52.417 tors. eta vs tors. theta energy: -48.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -2366.909476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.909476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.909476 (E_RNA) where: Base-Base interactions energy: -1654.106 where: short stacking energy: -678.943 Base-Backbone interact. energy: -3.111 local terms energy: -709.692375 where: bonds (distance) C4'-P energy: -130.852 bonds (distance) P-C4' energy: -120.809 flat angles C4'-P-C4' energy: -147.947 flat angles P-C4'-P energy: -97.874 tors. eta vs tors. theta energy: -212.211 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: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2227.940088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.940088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.940088 (E_RNA) where: Base-Base interactions energy: -1546.121 where: short stacking energy: -618.091 Base-Backbone interact. energy: -2.341 local terms energy: -679.478120 where: bonds (distance) C4'-P energy: -130.581 bonds (distance) P-C4' energy: -133.151 flat angles C4'-P-C4' energy: -127.417 flat angles P-C4'-P energy: -97.316 tors. eta vs tors. theta energy: -191.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2181.878641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.878641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.878641 (E_RNA) where: Base-Base interactions energy: -1538.644 where: short stacking energy: -622.589 Base-Backbone interact. energy: -0.655 local terms energy: -642.580302 where: bonds (distance) C4'-P energy: -113.120 bonds (distance) P-C4' energy: -100.286 flat angles C4'-P-C4' energy: -147.036 flat angles P-C4'-P energy: -97.031 tors. eta vs tors. theta energy: -185.107 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1983.875661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.875661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.875661 (E_RNA) where: Base-Base interactions energy: -1372.496 where: short stacking energy: -567.329 Base-Backbone interact. energy: -1.417 local terms energy: -609.962824 where: bonds (distance) C4'-P energy: -115.864 bonds (distance) P-C4' energy: -126.676 flat angles C4'-P-C4' energy: -126.311 flat angles P-C4'-P energy: -88.984 tors. eta vs tors. theta energy: -152.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1984.302816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.302816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.302816 (E_RNA) where: Base-Base interactions energy: -1418.907 where: short stacking energy: -547.834 Base-Backbone interact. energy: -0.685 local terms energy: -564.710633 where: bonds (distance) C4'-P energy: -106.849 bonds (distance) P-C4' energy: -104.521 flat angles C4'-P-C4' energy: -121.057 flat angles P-C4'-P energy: -74.643 tors. eta vs tors. theta energy: -157.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1807.811265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.811265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.811265 (E_RNA) where: Base-Base interactions energy: -1226.763 where: short stacking energy: -505.198 Base-Backbone interact. energy: -3.057 local terms energy: -577.991359 where: bonds (distance) C4'-P energy: -113.683 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -124.141 flat angles P-C4'-P energy: -96.818 tors. eta vs tors. theta energy: -154.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1558.326163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.326163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.326163 (E_RNA) where: Base-Base interactions energy: -1063.571 where: short stacking energy: -456.207 Base-Backbone interact. energy: -1.153 local terms energy: -493.602280 where: bonds (distance) C4'-P energy: -82.789 bonds (distance) P-C4' energy: -99.475 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -71.357 tors. eta vs tors. theta energy: -119.434 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: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1572.412612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.412612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.412612 (E_RNA) where: Base-Base interactions energy: -1079.027 where: short stacking energy: -468.795 Base-Backbone interact. energy: 1.688 local terms energy: -495.072892 where: bonds (distance) C4'-P energy: -97.171 bonds (distance) P-C4' energy: -92.536 flat angles C4'-P-C4' energy: -105.579 flat angles P-C4'-P energy: -72.162 tors. eta vs tors. theta energy: -127.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1231.267730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.267730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.267730 (E_RNA) where: Base-Base interactions energy: -811.286 where: short stacking energy: -347.125 Base-Backbone interact. energy: 3.150 local terms energy: -423.132356 where: bonds (distance) C4'-P energy: -83.239 bonds (distance) P-C4' energy: -96.131 flat angles C4'-P-C4' energy: -104.892 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -69.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1143.104411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.104411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.104411 (E_RNA) where: Base-Base interactions energy: -711.251 where: short stacking energy: -306.746 Base-Backbone interact. energy: -0.123 local terms energy: -431.730393 where: bonds (distance) C4'-P energy: -107.575 bonds (distance) P-C4' energy: -104.279 flat angles C4'-P-C4' energy: -106.666 flat angles P-C4'-P energy: -53.552 tors. eta vs tors. theta energy: -59.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -2362.991507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.991507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.991507 (E_RNA) where: Base-Base interactions energy: -1664.873 where: short stacking energy: -682.023 Base-Backbone interact. energy: -0.716 local terms energy: -697.401907 where: bonds (distance) C4'-P energy: -107.764 bonds (distance) P-C4' energy: -125.820 flat angles C4'-P-C4' energy: -153.855 flat angles P-C4'-P energy: -99.400 tors. eta vs tors. theta energy: -210.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2250.549041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.549041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.549041 (E_RNA) where: Base-Base interactions energy: -1578.501 where: short stacking energy: -633.044 Base-Backbone interact. energy: -4.590 local terms energy: -667.458542 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -133.350 flat angles C4'-P-C4' energy: -128.922 flat angles P-C4'-P energy: -96.049 tors. eta vs tors. theta energy: -200.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2214.942111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.942111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.942111 (E_RNA) where: Base-Base interactions energy: -1559.228 where: short stacking energy: -627.600 Base-Backbone interact. energy: -0.425 local terms energy: -655.289097 where: bonds (distance) C4'-P energy: -109.988 bonds (distance) P-C4' energy: -122.689 flat angles C4'-P-C4' energy: -137.927 flat angles P-C4'-P energy: -97.512 tors. eta vs tors. theta energy: -187.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1937.807962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.807962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.807962 (E_RNA) where: Base-Base interactions energy: -1360.196 where: short stacking energy: -538.027 Base-Backbone interact. energy: -3.322 local terms energy: -574.289996 where: bonds (distance) C4'-P energy: -113.842 bonds (distance) P-C4' energy: -97.228 flat angles C4'-P-C4' energy: -128.338 flat angles P-C4'-P energy: -75.627 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: 5, replica: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2049.072197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.072197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.072197 (E_RNA) where: Base-Base interactions energy: -1425.820 where: short stacking energy: -590.348 Base-Backbone interact. energy: -2.842 local terms energy: -620.410596 where: bonds (distance) C4'-P energy: -113.725 bonds (distance) P-C4' energy: -114.783 flat angles C4'-P-C4' energy: -135.691 flat angles P-C4'-P energy: -80.530 tors. eta vs tors. theta energy: -175.681 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: 5 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1822.325819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.325819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.325819 (E_RNA) where: Base-Base interactions energy: -1271.760 where: short stacking energy: -536.589 Base-Backbone interact. energy: -2.072 local terms energy: -548.493544 where: bonds (distance) C4'-P energy: -86.824 bonds (distance) P-C4' energy: -109.398 flat angles C4'-P-C4' energy: -122.050 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -151.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1624.810432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.810432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.810432 (E_RNA) where: Base-Base interactions energy: -1104.622 where: short stacking energy: -468.559 Base-Backbone interact. energy: 4.301 local terms energy: -524.489816 where: bonds (distance) C4'-P energy: -86.309 bonds (distance) P-C4' energy: -99.947 flat angles C4'-P-C4' energy: -123.840 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -128.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1544.792497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.792497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.792497 (E_RNA) where: Base-Base interactions energy: -1031.892 where: short stacking energy: -421.275 Base-Backbone interact. energy: -2.193 local terms energy: -510.706925 where: bonds (distance) C4'-P energy: -112.297 bonds (distance) P-C4' energy: -97.270 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -70.993 tors. eta vs tors. theta energy: -113.815 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: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1240.518241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.518241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.518241 (E_RNA) where: Base-Base interactions energy: -816.397 where: short stacking energy: -344.116 Base-Backbone interact. energy: -0.657 local terms energy: -423.464119 where: bonds (distance) C4'-P energy: -95.557 bonds (distance) P-C4' energy: -100.624 flat angles C4'-P-C4' energy: -94.358 flat angles P-C4'-P energy: -66.532 tors. eta vs tors. theta energy: -66.393 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: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1137.642765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.642765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.642765 (E_RNA) where: Base-Base interactions energy: -697.054 where: short stacking energy: -315.218 Base-Backbone interact. energy: -0.311 local terms energy: -440.277474 where: bonds (distance) C4'-P energy: -99.671 bonds (distance) P-C4' energy: -100.947 flat angles C4'-P-C4' energy: -100.736 flat angles P-C4'-P energy: -63.908 tors. eta vs tors. theta energy: -75.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -2356.133262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.133262 (E_RNA) where: Base-Base interactions energy: -1650.181 where: short stacking energy: -671.389 Base-Backbone interact. energy: -1.321 local terms energy: -704.630855 where: bonds (distance) C4'-P energy: -125.778 bonds (distance) P-C4' energy: -125.623 flat angles C4'-P-C4' energy: -143.479 flat angles P-C4'-P energy: -108.194 tors. eta vs tors. theta energy: -201.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2247.120421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.120421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.120421 (E_RNA) where: Base-Base interactions energy: -1572.238 where: short stacking energy: -643.312 Base-Backbone interact. energy: -3.771 local terms energy: -671.111392 where: bonds (distance) C4'-P energy: -111.878 bonds (distance) P-C4' energy: -129.301 flat angles C4'-P-C4' energy: -140.902 flat angles P-C4'-P energy: -92.220 tors. eta vs tors. theta energy: -196.811 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: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2196.722683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.722683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.722683 (E_RNA) where: Base-Base interactions energy: -1518.578 where: short stacking energy: -614.794 Base-Backbone interact. energy: 1.575 local terms energy: -679.720209 where: bonds (distance) C4'-P energy: -110.227 bonds (distance) P-C4' energy: -134.669 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -191.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1977.409575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.409575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.409575 (E_RNA) where: Base-Base interactions energy: -1377.693 where: short stacking energy: -549.084 Base-Backbone interact. energy: -1.842 local terms energy: -597.874765 where: bonds (distance) C4'-P energy: -119.491 bonds (distance) P-C4' energy: -117.523 flat angles C4'-P-C4' energy: -119.574 flat angles P-C4'-P energy: -79.036 tors. eta vs tors. theta energy: -162.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2023.476399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.476399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.476399 (E_RNA) where: Base-Base interactions energy: -1434.340 where: short stacking energy: -592.155 Base-Backbone interact. energy: 1.925 local terms energy: -591.061161 where: bonds (distance) C4'-P energy: -92.820 bonds (distance) P-C4' energy: -89.777 flat angles C4'-P-C4' energy: -135.421 flat angles P-C4'-P energy: -94.951 tors. eta vs tors. theta energy: -178.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1831.828759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.828759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.828759 (E_RNA) where: Base-Base interactions energy: -1273.667 where: short stacking energy: -542.876 Base-Backbone interact. energy: 1.155 local terms energy: -559.317602 where: bonds (distance) C4'-P energy: -93.416 bonds (distance) P-C4' energy: -122.421 flat angles C4'-P-C4' energy: -123.852 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -150.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1665.850224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.850224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.850224 (E_RNA) where: Base-Base interactions energy: -1119.784 where: short stacking energy: -473.013 Base-Backbone interact. energy: -1.380 local terms energy: -544.686161 where: bonds (distance) C4'-P energy: -124.608 bonds (distance) P-C4' energy: -98.407 flat angles C4'-P-C4' energy: -123.522 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -123.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1557.798371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.798371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.798371 (E_RNA) where: Base-Base interactions energy: -1040.282 where: short stacking energy: -454.405 Base-Backbone interact. energy: -2.344 local terms energy: -515.172502 where: bonds (distance) C4'-P energy: -99.540 bonds (distance) P-C4' energy: -97.314 flat angles C4'-P-C4' energy: -109.799 flat angles P-C4'-P energy: -77.706 tors. eta vs tors. theta energy: -130.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1205.970785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.970785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.970785 (E_RNA) where: Base-Base interactions energy: -786.909 where: short stacking energy: -352.206 Base-Backbone interact. energy: -1.497 local terms energy: -417.564503 where: bonds (distance) C4'-P energy: -104.163 bonds (distance) P-C4' energy: -90.597 flat angles C4'-P-C4' energy: -93.878 flat angles P-C4'-P energy: -59.548 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: 3 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1132.285954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.285954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.285954 (E_RNA) where: Base-Base interactions energy: -697.792 where: short stacking energy: -329.126 Base-Backbone interact. energy: -3.151 local terms energy: -431.342379 where: bonds (distance) C4'-P energy: -98.175 bonds (distance) P-C4' energy: -98.929 flat angles C4'-P-C4' energy: -91.715 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -82.023 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: 1, replica: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -2380.371213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.371213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.371213 (E_RNA) where: Base-Base interactions energy: -1659.509 where: short stacking energy: -690.096 Base-Backbone interact. energy: -3.411 local terms energy: -717.451463 where: bonds (distance) C4'-P energy: -120.675 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -147.775 flat angles P-C4'-P energy: -99.441 tors. eta vs tors. theta energy: -215.477 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: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2233.234595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.234595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.234595 (E_RNA) where: Base-Base interactions energy: -1529.834 where: short stacking energy: -636.396 Base-Backbone interact. energy: -1.676 local terms energy: -701.724370 where: bonds (distance) C4'-P energy: -116.559 bonds (distance) P-C4' energy: -128.056 flat angles C4'-P-C4' energy: -148.938 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -207.432 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: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2189.242402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.242402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.242402 (E_RNA) where: Base-Base interactions energy: -1548.127 where: short stacking energy: -623.169 Base-Backbone interact. energy: -2.884 local terms energy: -638.230815 where: bonds (distance) C4'-P energy: -106.697 bonds (distance) P-C4' energy: -108.728 flat angles C4'-P-C4' energy: -137.585 flat angles P-C4'-P energy: -94.731 tors. eta vs tors. theta energy: -190.490 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: 9 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2153.367793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.367793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.367793 (E_RNA) where: Base-Base interactions energy: -1515.068 where: short stacking energy: -600.888 Base-Backbone interact. energy: -3.879 local terms energy: -634.420643 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -115.493 flat angles C4'-P-C4' energy: -123.863 flat angles P-C4'-P energy: -98.588 tors. eta vs tors. theta energy: -191.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1906.359118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.359118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.359118 (E_RNA) where: Base-Base interactions energy: -1320.906 where: short stacking energy: -536.666 Base-Backbone interact. energy: -3.515 local terms energy: -581.937957 where: bonds (distance) C4'-P energy: -98.606 bonds (distance) P-C4' energy: -118.885 flat angles C4'-P-C4' energy: -126.406 flat angles P-C4'-P energy: -86.292 tors. eta vs tors. theta energy: -151.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1818.338775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.338775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.338775 (E_RNA) where: Base-Base interactions energy: -1266.798 where: short stacking energy: -509.996 Base-Backbone interact. energy: -1.016 local terms energy: -550.525099 where: bonds (distance) C4'-P energy: -114.090 bonds (distance) P-C4' energy: -117.389 flat angles C4'-P-C4' energy: -108.951 flat angles P-C4'-P energy: -70.173 tors. eta vs tors. theta energy: -139.923 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: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1596.759563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.759563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.759563 (E_RNA) where: Base-Base interactions energy: -1039.159 where: short stacking energy: -457.135 Base-Backbone interact. energy: 0.469 local terms energy: -558.069622 where: bonds (distance) C4'-P energy: -101.691 bonds (distance) P-C4' energy: -124.063 flat angles C4'-P-C4' energy: -130.842 flat angles P-C4'-P energy: -71.091 tors. eta vs tors. theta energy: -130.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1564.443208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.443208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.443208 (E_RNA) where: Base-Base interactions energy: -1035.278 where: short stacking energy: -455.907 Base-Backbone interact. energy: -1.522 local terms energy: -527.642975 where: bonds (distance) C4'-P energy: -112.443 bonds (distance) P-C4' energy: -104.103 flat angles C4'-P-C4' energy: -119.627 flat angles P-C4'-P energy: -71.808 tors. eta vs tors. theta energy: -119.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1210.965492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.965492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.965492 (E_RNA) where: Base-Base interactions energy: -768.082 where: short stacking energy: -350.547 Base-Backbone interact. energy: 1.715 local terms energy: -444.598781 where: bonds (distance) C4'-P energy: -92.706 bonds (distance) P-C4' energy: -102.380 flat angles C4'-P-C4' energy: -108.983 flat angles P-C4'-P energy: -57.338 tors. eta vs tors. theta energy: -83.192 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: 3 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1104.159774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.159774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.159774 (E_RNA) where: Base-Base interactions energy: -663.137 where: short stacking energy: -310.603 Base-Backbone interact. energy: -1.634 local terms energy: -439.388709 where: bonds (distance) C4'-P energy: -118.568 bonds (distance) P-C4' energy: -107.991 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -60.006 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: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -2376.261801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.261801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.261801 (E_RNA) where: Base-Base interactions energy: -1674.296 where: short stacking energy: -685.381 Base-Backbone interact. energy: -1.551 local terms energy: -700.414945 where: bonds (distance) C4'-P energy: -127.844 bonds (distance) P-C4' energy: -119.685 flat angles C4'-P-C4' energy: -146.222 flat angles P-C4'-P energy: -95.185 tors. eta vs tors. theta energy: -211.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2275.349866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.349866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.349866 (E_RNA) where: Base-Base interactions energy: -1607.166 where: short stacking energy: -654.570 Base-Backbone interact. energy: -2.452 local terms energy: -665.732281 where: bonds (distance) C4'-P energy: -112.632 bonds (distance) P-C4' energy: -113.364 flat angles C4'-P-C4' energy: -152.963 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -203.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2197.310608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.310608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.310608 (E_RNA) where: Base-Base interactions energy: -1552.990 where: short stacking energy: -631.355 Base-Backbone interact. energy: -1.379 local terms energy: -642.941835 where: bonds (distance) C4'-P energy: -114.270 bonds (distance) P-C4' energy: -116.694 flat angles C4'-P-C4' energy: -134.275 flat angles P-C4'-P energy: -86.455 tors. eta vs tors. theta energy: -191.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2162.702527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.702527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.702527 (E_RNA) where: Base-Base interactions energy: -1526.533 where: short stacking energy: -601.575 Base-Backbone interact. energy: 0.263 local terms energy: -636.432824 where: bonds (distance) C4'-P energy: -108.854 bonds (distance) P-C4' energy: -112.708 flat angles C4'-P-C4' energy: -129.284 flat angles P-C4'-P energy: -96.859 tors. eta vs tors. theta energy: -188.727 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: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1920.661800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.661800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.661800 (E_RNA) where: Base-Base interactions energy: -1295.667 where: short stacking energy: -560.984 Base-Backbone interact. energy: 0.192 local terms energy: -625.186631 where: bonds (distance) C4'-P energy: -119.836 bonds (distance) P-C4' energy: -125.474 flat angles C4'-P-C4' energy: -129.375 flat angles P-C4'-P energy: -91.953 tors. eta vs tors. theta energy: -158.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1802.077868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.077868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.077868 (E_RNA) where: Base-Base interactions energy: -1252.440 where: short stacking energy: -509.887 Base-Backbone interact. energy: -5.288 local terms energy: -544.349907 where: bonds (distance) C4'-P energy: -90.136 bonds (distance) P-C4' energy: -116.224 flat angles C4'-P-C4' energy: -122.134 flat angles P-C4'-P energy: -78.575 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: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1628.859329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.859329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.859329 (E_RNA) where: Base-Base interactions energy: -1112.358 where: short stacking energy: -448.062 Base-Backbone interact. energy: 0.829 local terms energy: -517.330172 where: bonds (distance) C4'-P energy: -104.962 bonds (distance) P-C4' energy: -97.016 flat angles C4'-P-C4' energy: -115.074 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -129.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1571.454775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.454775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.454775 (E_RNA) where: Base-Base interactions energy: -1089.829 where: short stacking energy: -447.288 Base-Backbone interact. energy: 1.440 local terms energy: -483.065696 where: bonds (distance) C4'-P energy: -103.119 bonds (distance) P-C4' energy: -100.337 flat angles C4'-P-C4' energy: -100.931 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -123.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1227.116412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.116412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.116412 (E_RNA) where: Base-Base interactions energy: -762.915 where: short stacking energy: -319.967 Base-Backbone interact. energy: 2.437 local terms energy: -466.638397 where: bonds (distance) C4'-P energy: -110.735 bonds (distance) P-C4' energy: -114.866 flat angles C4'-P-C4' energy: -107.235 flat angles P-C4'-P energy: -61.411 tors. eta vs tors. theta energy: -72.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1134.513644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.513644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.513644 (E_RNA) where: Base-Base interactions energy: -712.409 where: short stacking energy: -297.564 Base-Backbone interact. energy: -0.150 local terms energy: -421.954503 where: bonds (distance) C4'-P energy: -92.392 bonds (distance) P-C4' energy: -101.409 flat angles C4'-P-C4' energy: -92.488 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -65.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -2354.419935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.419935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.419935 (E_RNA) where: Base-Base interactions energy: -1641.042 where: short stacking energy: -684.801 Base-Backbone interact. energy: -2.233 local terms energy: -711.144080 where: bonds (distance) C4'-P energy: -121.470 bonds (distance) P-C4' energy: -129.480 flat angles C4'-P-C4' energy: -150.729 flat angles P-C4'-P energy: -107.079 tors. eta vs tors. theta energy: -202.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2255.481414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.481414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.481414 (E_RNA) where: Base-Base interactions energy: -1558.067 where: short stacking energy: -629.870 Base-Backbone interact. energy: -4.729 local terms energy: -692.685172 where: bonds (distance) C4'-P energy: -121.259 bonds (distance) P-C4' energy: -121.065 flat angles C4'-P-C4' energy: -146.551 flat angles P-C4'-P energy: -101.266 tors. eta vs tors. theta energy: -202.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2200.193304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.193304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.193304 (E_RNA) where: Base-Base interactions energy: -1511.152 where: short stacking energy: -592.411 Base-Backbone interact. energy: -1.622 local terms energy: -687.419158 where: bonds (distance) C4'-P energy: -128.841 bonds (distance) P-C4' energy: -123.685 flat angles C4'-P-C4' energy: -144.713 flat angles P-C4'-P energy: -91.972 tors. eta vs tors. theta energy: -198.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2147.569097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.569097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.569097 (E_RNA) where: Base-Base interactions energy: -1521.967 where: short stacking energy: -614.282 Base-Backbone interact. energy: -4.089 local terms energy: -621.512793 where: bonds (distance) C4'-P energy: -95.358 bonds (distance) P-C4' energy: -117.834 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -83.836 tors. eta vs tors. theta energy: -187.376 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: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1908.792889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.792889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.792889 (E_RNA) where: Base-Base interactions energy: -1327.783 where: short stacking energy: -525.029 Base-Backbone interact. energy: 0.496 local terms energy: -581.506207 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -111.203 flat angles C4'-P-C4' energy: -120.550 flat angles P-C4'-P energy: -86.177 tors. eta vs tors. theta energy: -159.444 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: 355 Temperature: 1.150000 Total energy: -1849.770042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.770042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.770042 (E_RNA) where: Base-Base interactions energy: -1297.125 where: short stacking energy: -516.233 Base-Backbone interact. energy: 4.869 local terms energy: -557.514018 where: bonds (distance) C4'-P energy: -94.947 bonds (distance) P-C4' energy: -113.036 flat angles C4'-P-C4' energy: -120.625 flat angles P-C4'-P energy: -84.591 tors. eta vs tors. theta energy: -144.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1643.535533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.535533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.535533 (E_RNA) where: Base-Base interactions energy: -1101.828 where: short stacking energy: -475.022 Base-Backbone interact. energy: 0.764 local terms energy: -542.471115 where: bonds (distance) C4'-P energy: -103.436 bonds (distance) P-C4' energy: -105.279 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -73.378 tors. eta vs tors. theta energy: -134.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1499.511683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.511683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.511683 (E_RNA) where: Base-Base interactions energy: -999.341 where: short stacking energy: -398.295 Base-Backbone interact. energy: -0.983 local terms energy: -499.187564 where: bonds (distance) C4'-P energy: -93.076 bonds (distance) P-C4' energy: -98.930 flat angles C4'-P-C4' energy: -109.649 flat angles P-C4'-P energy: -88.998 tors. eta vs tors. theta energy: -108.535 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: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1223.209930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.209930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.209930 (E_RNA) where: Base-Base interactions energy: -778.645 where: short stacking energy: -345.736 Base-Backbone interact. energy: -2.028 local terms energy: -442.537164 where: bonds (distance) C4'-P energy: -93.197 bonds (distance) P-C4' energy: -101.643 flat angles C4'-P-C4' energy: -107.658 flat angles P-C4'-P energy: -62.970 tors. eta vs tors. theta energy: -77.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1104.741440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.741440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.741440 (E_RNA) where: Base-Base interactions energy: -665.618 where: short stacking energy: -288.665 Base-Backbone interact. energy: 6.735 local terms energy: -445.858428 where: bonds (distance) C4'-P energy: -102.610 bonds (distance) P-C4' energy: -106.794 flat angles C4'-P-C4' energy: -105.238 flat angles P-C4'-P energy: -72.254 tors. eta vs tors. theta energy: -58.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -2344.020016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.020016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.020016 (E_RNA) where: Base-Base interactions energy: -1623.948 where: short stacking energy: -650.387 Base-Backbone interact. energy: -2.436 local terms energy: -717.636461 where: bonds (distance) C4'-P energy: -125.912 bonds (distance) P-C4' energy: -131.448 flat angles C4'-P-C4' energy: -148.681 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -205.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2238.132589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.132589 (E_RNA) where: Base-Base interactions energy: -1585.463 where: short stacking energy: -625.846 Base-Backbone interact. energy: -2.210 local terms energy: -650.458807 where: bonds (distance) C4'-P energy: -122.891 bonds (distance) P-C4' energy: -104.588 flat angles C4'-P-C4' energy: -140.912 flat angles P-C4'-P energy: -89.460 tors. eta vs tors. theta energy: -192.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2170.577293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.577293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.577293 (E_RNA) where: Base-Base interactions energy: -1496.327 where: short stacking energy: -616.988 Base-Backbone interact. energy: -1.853 local terms energy: -672.398119 where: bonds (distance) C4'-P energy: -124.042 bonds (distance) P-C4' energy: -133.232 flat angles C4'-P-C4' energy: -130.126 flat angles P-C4'-P energy: -91.512 tors. eta vs tors. theta energy: -193.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2113.184141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.184141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.184141 (E_RNA) where: Base-Base interactions energy: -1483.884 where: short stacking energy: -624.468 Base-Backbone interact. energy: -0.753 local terms energy: -628.547111 where: bonds (distance) C4'-P energy: -98.243 bonds (distance) P-C4' energy: -122.339 flat angles C4'-P-C4' energy: -134.445 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -182.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1982.489942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.489942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.489942 (E_RNA) where: Base-Base interactions energy: -1368.573 where: short stacking energy: -552.425 Base-Backbone interact. energy: -0.788 local terms energy: -613.128789 where: bonds (distance) C4'-P energy: -113.554 bonds (distance) P-C4' energy: -122.943 flat angles C4'-P-C4' energy: -126.912 flat angles P-C4'-P energy: -81.752 tors. eta vs tors. theta energy: -167.968 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: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1813.151353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.151353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.151353 (E_RNA) where: Base-Base interactions energy: -1302.029 where: short stacking energy: -522.823 Base-Backbone interact. energy: -4.506 local terms energy: -506.616592 where: bonds (distance) C4'-P energy: -76.893 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -110.685 flat angles P-C4'-P energy: -70.777 tors. eta vs tors. theta energy: -146.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1608.239719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.239719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.239719 (E_RNA) where: Base-Base interactions energy: -1087.278 where: short stacking energy: -467.876 Base-Backbone interact. energy: -1.872 local terms energy: -519.089723 where: bonds (distance) C4'-P energy: -100.685 bonds (distance) P-C4' energy: -115.581 flat angles C4'-P-C4' energy: -109.090 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -123.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1511.503633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.503633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.503633 (E_RNA) where: Base-Base interactions energy: -1009.529 where: short stacking energy: -429.464 Base-Backbone interact. energy: -1.299 local terms energy: -500.675779 where: bonds (distance) C4'-P energy: -108.219 bonds (distance) P-C4' energy: -91.560 flat angles C4'-P-C4' energy: -118.388 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -121.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1218.250012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.250012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.250012 (E_RNA) where: Base-Base interactions energy: -748.249 where: short stacking energy: -342.137 Base-Backbone interact. energy: 1.809 local terms energy: -471.809832 where: bonds (distance) C4'-P energy: -107.572 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -69.977 tors. eta vs tors. theta energy: -80.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1101.415604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.415604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.415604 (E_RNA) where: Base-Base interactions energy: -689.654 where: short stacking energy: -300.467 Base-Backbone interact. energy: 1.289 local terms energy: -413.050649 where: bonds (distance) C4'-P energy: -101.060 bonds (distance) P-C4' energy: -92.456 flat angles C4'-P-C4' energy: -101.277 flat angles P-C4'-P energy: -66.039 tors. eta vs tors. theta energy: -52.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2375.176297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.176297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.176297 (E_RNA) where: Base-Base interactions energy: -1672.285 where: short stacking energy: -695.643 Base-Backbone interact. energy: -2.965 local terms energy: -699.926425 where: bonds (distance) C4'-P energy: -120.419 bonds (distance) P-C4' energy: -123.047 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -111.160 tors. eta vs tors. theta energy: -205.151 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: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2228.532133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.532133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.532133 (E_RNA) where: Base-Base interactions energy: -1570.775 where: short stacking energy: -613.677 Base-Backbone interact. energy: -5.501 local terms energy: -652.255460 where: bonds (distance) C4'-P energy: -118.606 bonds (distance) P-C4' energy: -125.865 flat angles C4'-P-C4' energy: -127.112 flat angles P-C4'-P energy: -94.115 tors. eta vs tors. theta energy: -186.558 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: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2195.121315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.121315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.121315 (E_RNA) where: Base-Base interactions energy: -1554.642 where: short stacking energy: -645.424 Base-Backbone interact. energy: 0.424 local terms energy: -640.903131 where: bonds (distance) C4'-P energy: -116.251 bonds (distance) P-C4' energy: -118.206 flat angles C4'-P-C4' energy: -138.450 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -185.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2110.866798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.866798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.866798 (E_RNA) where: Base-Base interactions energy: -1492.129 where: short stacking energy: -592.555 Base-Backbone interact. energy: -0.869 local terms energy: -617.868196 where: bonds (distance) C4'-P energy: -98.249 bonds (distance) P-C4' energy: -114.168 flat angles C4'-P-C4' energy: -135.144 flat angles P-C4'-P energy: -92.430 tors. eta vs tors. theta energy: -177.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1960.547425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.547425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.547425 (E_RNA) where: Base-Base interactions energy: -1328.345 where: short stacking energy: -552.772 Base-Backbone interact. energy: -1.157 local terms energy: -631.045682 where: bonds (distance) C4'-P energy: -105.647 bonds (distance) P-C4' energy: -125.467 flat angles C4'-P-C4' energy: -139.579 flat angles P-C4'-P energy: -98.390 tors. eta vs tors. theta energy: -161.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1757.002561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.002561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.002561 (E_RNA) where: Base-Base interactions energy: -1201.061 where: short stacking energy: -512.103 Base-Backbone interact. energy: -2.246 local terms energy: -553.694961 where: bonds (distance) C4'-P energy: -98.614 bonds (distance) P-C4' energy: -102.928 flat angles C4'-P-C4' energy: -119.169 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -148.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1582.210948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.210948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.210948 (E_RNA) where: Base-Base interactions energy: -1079.564 where: short stacking energy: -448.822 Base-Backbone interact. energy: -1.024 local terms energy: -501.623118 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -111.020 flat angles C4'-P-C4' energy: -101.710 flat angles P-C4'-P energy: -77.076 tors. eta vs tors. theta energy: -112.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1524.740994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.740994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.740994 (E_RNA) where: Base-Base interactions energy: -1028.122 where: short stacking energy: -453.803 Base-Backbone interact. energy: 0.595 local terms energy: -497.214216 where: bonds (distance) C4'-P energy: -81.325 bonds (distance) P-C4' energy: -111.982 flat angles C4'-P-C4' energy: -107.742 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -117.123 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: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1217.147985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.147985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.147985 (E_RNA) where: Base-Base interactions energy: -779.974 where: short stacking energy: -360.236 Base-Backbone interact. energy: -0.924 local terms energy: -436.249564 where: bonds (distance) C4'-P energy: -100.812 bonds (distance) P-C4' energy: -91.824 flat angles C4'-P-C4' energy: -98.249 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -82.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1083.717369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.717369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.717369 (E_RNA) where: Base-Base interactions energy: -679.039 where: short stacking energy: -278.771 Base-Backbone interact. energy: 0.706 local terms energy: -405.383640 where: bonds (distance) C4'-P energy: -106.056 bonds (distance) P-C4' energy: -83.804 flat angles C4'-P-C4' energy: -102.171 flat angles P-C4'-P energy: -73.412 tors. eta vs tors. theta energy: -39.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -2379.625800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.625800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.625800 (E_RNA) where: Base-Base interactions energy: -1678.989 where: short stacking energy: -689.791 Base-Backbone interact. energy: 0.378 local terms energy: -701.015214 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -130.250 flat angles C4'-P-C4' energy: -154.790 flat angles P-C4'-P energy: -80.862 tors. eta vs tors. theta energy: -211.514 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: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2236.478402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.478402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.478402 (E_RNA) where: Base-Base interactions energy: -1563.604 where: short stacking energy: -618.588 Base-Backbone interact. energy: -1.017 local terms energy: -671.857139 where: bonds (distance) C4'-P energy: -108.078 bonds (distance) P-C4' energy: -124.675 flat angles C4'-P-C4' energy: -143.456 flat angles P-C4'-P energy: -100.116 tors. eta vs tors. theta energy: -195.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2165.667668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.667668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.667668 (E_RNA) where: Base-Base interactions energy: -1508.578 where: short stacking energy: -613.934 Base-Backbone interact. energy: -4.120 local terms energy: -652.970381 where: bonds (distance) C4'-P energy: -107.105 bonds (distance) P-C4' energy: -118.024 flat angles C4'-P-C4' energy: -138.387 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -194.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2115.660347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.660347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.660347 (E_RNA) where: Base-Base interactions energy: -1503.778 where: short stacking energy: -595.533 Base-Backbone interact. energy: 0.912 local terms energy: -612.794017 where: bonds (distance) C4'-P energy: -113.188 bonds (distance) P-C4' energy: -107.969 flat angles C4'-P-C4' energy: -135.710 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -172.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1989.672073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.672073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.672073 (E_RNA) where: Base-Base interactions energy: -1394.068 where: short stacking energy: -561.433 Base-Backbone interact. energy: 1.024 local terms energy: -596.628362 where: bonds (distance) C4'-P energy: -84.252 bonds (distance) P-C4' energy: -120.910 flat angles C4'-P-C4' energy: -130.637 flat angles P-C4'-P energy: -89.213 tors. eta vs tors. theta energy: -171.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1802.021097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.021097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.021097 (E_RNA) where: Base-Base interactions energy: -1271.019 where: short stacking energy: -503.438 Base-Backbone interact. energy: -2.540 local terms energy: -528.462561 where: bonds (distance) C4'-P energy: -101.666 bonds (distance) P-C4' energy: -81.410 flat angles C4'-P-C4' energy: -116.383 flat angles P-C4'-P energy: -91.867 tors. eta vs tors. theta energy: -137.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1588.981606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.981606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.981606 (E_RNA) where: Base-Base interactions energy: -1076.066 where: short stacking energy: -450.092 Base-Backbone interact. energy: -0.711 local terms energy: -512.204589 where: bonds (distance) C4'-P energy: -101.355 bonds (distance) P-C4' energy: -118.583 flat angles C4'-P-C4' energy: -110.725 flat angles P-C4'-P energy: -58.605 tors. eta vs tors. theta energy: -122.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1462.321428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.321428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.321428 (E_RNA) where: Base-Base interactions energy: -975.413 where: short stacking energy: -421.462 Base-Backbone interact. energy: 2.306 local terms energy: -489.214430 where: bonds (distance) C4'-P energy: -109.692 bonds (distance) P-C4' energy: -89.799 flat angles C4'-P-C4' energy: -113.369 flat angles P-C4'-P energy: -71.547 tors. eta vs tors. theta energy: -104.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1251.663065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.663065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.663065 (E_RNA) where: Base-Base interactions energy: -806.020 where: short stacking energy: -358.860 Base-Backbone interact. energy: 4.643 local terms energy: -450.286264 where: bonds (distance) C4'-P energy: -109.218 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -87.212 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -83.547 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: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1114.979501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.979501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.979501 (E_RNA) where: Base-Base interactions energy: -719.828 where: short stacking energy: -307.931 Base-Backbone interact. energy: 0.743 local terms energy: -395.894223 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -102.618 flat angles C4'-P-C4' energy: -86.338 flat angles P-C4'-P energy: -54.836 tors. eta vs tors. theta energy: -57.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -2358.380036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.380036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.380036 (E_RNA) where: Base-Base interactions energy: -1658.802 where: short stacking energy: -691.689 Base-Backbone interact. energy: -0.775 local terms energy: -698.803947 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -116.779 flat angles C4'-P-C4' energy: -143.798 flat angles P-C4'-P energy: -104.684 tors. eta vs tors. theta energy: -208.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2233.557594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.557594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.557594 (E_RNA) where: Base-Base interactions energy: -1557.857 where: short stacking energy: -618.389 Base-Backbone interact. energy: -0.238 local terms energy: -675.462542 where: bonds (distance) C4'-P energy: -110.407 bonds (distance) P-C4' energy: -131.138 flat angles C4'-P-C4' energy: -136.982 flat angles P-C4'-P energy: -97.992 tors. eta vs tors. theta energy: -198.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2153.657349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.657349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.657349 (E_RNA) where: Base-Base interactions energy: -1517.230 where: short stacking energy: -613.377 Base-Backbone interact. energy: -2.261 local terms energy: -634.165952 where: bonds (distance) C4'-P energy: -113.501 bonds (distance) P-C4' energy: -104.916 flat angles C4'-P-C4' energy: -144.023 flat angles P-C4'-P energy: -90.247 tors. eta vs tors. theta energy: -181.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2093.964482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.964482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.964482 (E_RNA) where: Base-Base interactions energy: -1479.738 where: short stacking energy: -565.048 Base-Backbone interact. energy: 1.362 local terms energy: -615.589092 where: bonds (distance) C4'-P energy: -106.952 bonds (distance) P-C4' energy: -115.470 flat angles C4'-P-C4' energy: -126.587 flat angles P-C4'-P energy: -92.455 tors. eta vs tors. theta energy: -174.125 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: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1959.008216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.008216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.008216 (E_RNA) where: Base-Base interactions energy: -1350.434 where: short stacking energy: -544.091 Base-Backbone interact. energy: -2.003 local terms energy: -606.570550 where: bonds (distance) C4'-P energy: -97.899 bonds (distance) P-C4' energy: -131.304 flat angles C4'-P-C4' energy: -136.270 flat angles P-C4'-P energy: -78.956 tors. eta vs tors. theta energy: -162.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1811.084280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.084280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.084280 (E_RNA) where: Base-Base interactions energy: -1238.063 where: short stacking energy: -487.776 Base-Backbone interact. energy: -2.657 local terms energy: -570.364239 where: bonds (distance) C4'-P energy: -117.695 bonds (distance) P-C4' energy: -107.618 flat angles C4'-P-C4' energy: -111.117 flat angles P-C4'-P energy: -86.308 tors. eta vs tors. theta energy: -147.627 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: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1617.715030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.715030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.715030 (E_RNA) where: Base-Base interactions energy: -1114.589 where: short stacking energy: -492.755 Base-Backbone interact. energy: 0.120 local terms energy: -503.246272 where: bonds (distance) C4'-P energy: -81.567 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -121.985 flat angles P-C4'-P energy: -68.820 tors. eta vs tors. theta energy: -140.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1512.994668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.994668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.994668 (E_RNA) where: Base-Base interactions energy: -998.258 where: short stacking energy: -417.740 Base-Backbone interact. energy: 0.025 local terms energy: -514.761534 where: bonds (distance) C4'-P energy: -99.363 bonds (distance) P-C4' energy: -113.003 flat angles C4'-P-C4' energy: -123.067 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -105.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1270.462987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.462987 (E_RNA) where: Base-Base interactions energy: -813.829 where: short stacking energy: -364.102 Base-Backbone interact. energy: 1.871 local terms energy: -458.504830 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -90.678 flat angles C4'-P-C4' energy: -115.074 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -95.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1130.886896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.886896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.886896 (E_RNA) where: Base-Base interactions energy: -730.165 where: short stacking energy: -302.181 Base-Backbone interact. energy: -1.558 local terms energy: -399.163706 where: bonds (distance) C4'-P energy: -93.602 bonds (distance) P-C4' energy: -99.602 flat angles C4'-P-C4' energy: -85.979 flat angles P-C4'-P energy: -71.178 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: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -2370.819803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.819803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.819803 (E_RNA) where: Base-Base interactions energy: -1652.800 where: short stacking energy: -693.990 Base-Backbone interact. energy: -2.185 local terms energy: -715.834804 where: bonds (distance) C4'-P energy: -119.823 bonds (distance) P-C4' energy: -134.727 flat angles C4'-P-C4' energy: -146.580 flat angles P-C4'-P energy: -99.132 tors. eta vs tors. theta energy: -215.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2259.717571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.717571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.717571 (E_RNA) where: Base-Base interactions energy: -1567.182 where: short stacking energy: -637.813 Base-Backbone interact. energy: -3.539 local terms energy: -688.995840 where: bonds (distance) C4'-P energy: -125.428 bonds (distance) P-C4' energy: -121.379 flat angles C4'-P-C4' energy: -144.633 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -195.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2176.222058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.222058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.222058 (E_RNA) where: Base-Base interactions energy: -1513.211 where: short stacking energy: -631.024 Base-Backbone interact. energy: -1.512 local terms energy: -661.499842 where: bonds (distance) C4'-P energy: -110.878 bonds (distance) P-C4' energy: -114.654 flat angles C4'-P-C4' energy: -149.672 flat angles P-C4'-P energy: -99.111 tors. eta vs tors. theta energy: -187.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2133.680047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.680047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.680047 (E_RNA) where: Base-Base interactions energy: -1514.556 where: short stacking energy: -598.576 Base-Backbone interact. energy: -0.713 local terms energy: -618.411122 where: bonds (distance) C4'-P energy: -112.710 bonds (distance) P-C4' energy: -104.283 flat angles C4'-P-C4' energy: -133.264 flat angles P-C4'-P energy: -91.938 tors. eta vs tors. theta energy: -176.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1930.904621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.904621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.904621 (E_RNA) where: Base-Base interactions energy: -1334.445 where: short stacking energy: -544.436 Base-Backbone interact. energy: 1.056 local terms energy: -597.515176 where: bonds (distance) C4'-P energy: -105.461 bonds (distance) P-C4' energy: -118.317 flat angles C4'-P-C4' energy: -132.215 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: -164.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1812.811211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.811211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.811211 (E_RNA) where: Base-Base interactions energy: -1240.959 where: short stacking energy: -522.349 Base-Backbone interact. energy: -0.892 local terms energy: -570.959774 where: bonds (distance) C4'-P energy: -99.215 bonds (distance) P-C4' energy: -119.134 flat angles C4'-P-C4' energy: -121.343 flat angles P-C4'-P energy: -84.174 tors. eta vs tors. theta energy: -147.093 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: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1645.598401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.598401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.598401 (E_RNA) where: Base-Base interactions energy: -1108.025 where: short stacking energy: -472.595 Base-Backbone interact. energy: -1.505 local terms energy: -536.068614 where: bonds (distance) C4'-P energy: -106.338 bonds (distance) P-C4' energy: -123.940 flat angles C4'-P-C4' energy: -107.761 flat angles P-C4'-P energy: -68.502 tors. eta vs tors. theta energy: -129.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1506.033197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.033197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.033197 (E_RNA) where: Base-Base interactions energy: -1007.295 where: short stacking energy: -424.380 Base-Backbone interact. energy: -1.940 local terms energy: -496.797525 where: bonds (distance) C4'-P energy: -97.383 bonds (distance) P-C4' energy: -121.628 flat angles C4'-P-C4' energy: -108.202 flat angles P-C4'-P energy: -59.350 tors. eta vs tors. theta energy: -110.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1268.401639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.401639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.401639 (E_RNA) where: Base-Base interactions energy: -805.996 where: short stacking energy: -353.282 Base-Backbone interact. energy: -1.059 local terms energy: -461.346675 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -88.532 flat angles C4'-P-C4' energy: -111.007 flat angles P-C4'-P energy: -78.748 tors. eta vs tors. theta energy: -80.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1128.358651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.358651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.358651 (E_RNA) where: Base-Base interactions energy: -712.243 where: short stacking energy: -309.008 Base-Backbone interact. energy: 5.805 local terms energy: -421.921144 where: bonds (distance) C4'-P energy: -97.781 bonds (distance) P-C4' energy: -112.494 flat angles C4'-P-C4' energy: -88.262 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -58.993 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: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -2355.007143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.007143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.007143 (E_RNA) where: Base-Base interactions energy: -1629.902 where: short stacking energy: -669.829 Base-Backbone interact. energy: -4.268 local terms energy: -720.837775 where: bonds (distance) C4'-P energy: -124.737 bonds (distance) P-C4' energy: -141.503 flat angles C4'-P-C4' energy: -146.188 flat angles P-C4'-P energy: -101.726 tors. eta vs tors. theta energy: -206.684 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: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -2248.258833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.258833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.258833 (E_RNA) where: Base-Base interactions energy: -1570.478 where: short stacking energy: -621.296 Base-Backbone interact. energy: -5.411 local terms energy: -672.369292 where: bonds (distance) C4'-P energy: -119.987 bonds (distance) P-C4' energy: -119.797 flat angles C4'-P-C4' energy: -148.669 flat angles P-C4'-P energy: -92.038 tors. eta vs tors. theta energy: -191.878 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: 3, replica: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2160.767243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.767243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.767243 (E_RNA) where: Base-Base interactions energy: -1533.695 where: short stacking energy: -620.772 Base-Backbone interact. energy: 3.436 local terms energy: -630.507777 where: bonds (distance) C4'-P energy: -109.393 bonds (distance) P-C4' energy: -121.229 flat angles C4'-P-C4' energy: -131.582 flat angles P-C4'-P energy: -78.221 tors. eta vs tors. theta energy: -190.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2147.188741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.188741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.188741 (E_RNA) where: Base-Base interactions energy: -1520.453 where: short stacking energy: -627.864 Base-Backbone interact. energy: -2.749 local terms energy: -623.987158 where: bonds (distance) C4'-P energy: -91.481 bonds (distance) P-C4' energy: -111.036 flat angles C4'-P-C4' energy: -142.558 flat angles P-C4'-P energy: -93.133 tors. eta vs tors. theta energy: -185.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1874.801074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.801074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.801074 (E_RNA) where: Base-Base interactions energy: -1298.236 where: short stacking energy: -536.883 Base-Backbone interact. energy: -0.215 local terms energy: -576.350236 where: bonds (distance) C4'-P energy: -88.456 bonds (distance) P-C4' energy: -111.558 flat angles C4'-P-C4' energy: -126.371 flat angles P-C4'-P energy: -86.167 tors. eta vs tors. theta energy: -163.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1813.657678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.657678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.657678 (E_RNA) where: Base-Base interactions energy: -1260.031 where: short stacking energy: -516.201 Base-Backbone interact. energy: 1.681 local terms energy: -555.307344 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -111.747 flat angles P-C4'-P energy: -75.631 tors. eta vs tors. theta energy: -159.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1610.726520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.726520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.726520 (E_RNA) where: Base-Base interactions energy: -1092.788 where: short stacking energy: -452.358 Base-Backbone interact. energy: -1.388 local terms energy: -516.550062 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -101.454 flat angles C4'-P-C4' energy: -115.219 flat angles P-C4'-P energy: -66.892 tors. eta vs tors. theta energy: -125.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1506.679142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.679142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.679142 (E_RNA) where: Base-Base interactions energy: -1044.634 where: short stacking energy: -430.856 Base-Backbone interact. energy: -1.513 local terms energy: -460.532651 where: bonds (distance) C4'-P energy: -94.089 bonds (distance) P-C4' energy: -90.339 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -67.449 tors. eta vs tors. theta energy: -114.572 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: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1276.425784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.425784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.425784 (E_RNA) where: Base-Base interactions energy: -819.243 where: short stacking energy: -351.855 Base-Backbone interact. energy: -2.430 local terms energy: -454.752694 where: bonds (distance) C4'-P energy: -99.734 bonds (distance) P-C4' energy: -102.301 flat angles C4'-P-C4' energy: -103.324 flat angles P-C4'-P energy: -69.435 tors. eta vs tors. theta energy: -79.958 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: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1086.175539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.175539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.175539 (E_RNA) where: Base-Base interactions energy: -649.112 where: short stacking energy: -258.729 Base-Backbone interact. energy: -1.764 local terms energy: -435.299713 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -115.712 flat angles C4'-P-C4' energy: -115.631 flat angles P-C4'-P energy: -65.779 tors. eta vs tors. theta energy: -39.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -2359.828775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.828775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.828775 (E_RNA) where: Base-Base interactions energy: -1668.849 where: short stacking energy: -689.688 Base-Backbone interact. energy: -2.779 local terms energy: -688.201214 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -110.461 flat angles C4'-P-C4' energy: -142.213 flat angles P-C4'-P energy: -104.420 tors. eta vs tors. theta energy: -204.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2253.298528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.298528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.298528 (E_RNA) where: Base-Base interactions energy: -1589.131 where: short stacking energy: -639.973 Base-Backbone interact. energy: -0.403 local terms energy: -663.763680 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -109.796 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -95.646 tors. eta vs tors. theta energy: -190.337 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: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2197.930162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.930162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.930162 (E_RNA) where: Base-Base interactions energy: -1540.665 where: short stacking energy: -622.393 Base-Backbone interact. energy: -1.775 local terms energy: -655.489769 where: bonds (distance) C4'-P energy: -112.370 bonds (distance) P-C4' energy: -118.613 flat angles C4'-P-C4' energy: -136.414 flat angles P-C4'-P energy: -103.326 tors. eta vs tors. theta energy: -184.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2126.606097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.606097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.606097 (E_RNA) where: Base-Base interactions energy: -1497.632 where: short stacking energy: -592.056 Base-Backbone interact. energy: -0.588 local terms energy: -628.385403 where: bonds (distance) C4'-P energy: -114.824 bonds (distance) P-C4' energy: -110.330 flat angles C4'-P-C4' energy: -128.399 flat angles P-C4'-P energy: -97.050 tors. eta vs tors. theta energy: -177.782 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: 362 Temperature: 1.100000 Total energy: -1909.819804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.819804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.819804 (E_RNA) where: Base-Base interactions energy: -1333.328 where: short stacking energy: -552.448 Base-Backbone interact. energy: 0.758 local terms energy: -577.249787 where: bonds (distance) C4'-P energy: -107.249 bonds (distance) P-C4' energy: -101.064 flat angles C4'-P-C4' energy: -139.880 flat angles P-C4'-P energy: -69.611 tors. eta vs tors. theta energy: -159.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1773.332738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.332738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.332738 (E_RNA) where: Base-Base interactions energy: -1219.658 where: short stacking energy: -496.990 Base-Backbone interact. energy: 7.898 local terms energy: -561.573195 where: bonds (distance) C4'-P energy: -104.915 bonds (distance) P-C4' energy: -107.716 flat angles C4'-P-C4' energy: -128.269 flat angles P-C4'-P energy: -84.238 tors. eta vs tors. theta energy: -136.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1618.458587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.458587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.458587 (E_RNA) where: Base-Base interactions energy: -1092.102 where: short stacking energy: -453.208 Base-Backbone interact. energy: 1.129 local terms energy: -527.486194 where: bonds (distance) C4'-P energy: -117.723 bonds (distance) P-C4' energy: -114.163 flat angles C4'-P-C4' energy: -110.936 flat angles P-C4'-P energy: -70.594 tors. eta vs tors. theta energy: -114.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1506.306830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.306830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.306830 (E_RNA) where: Base-Base interactions energy: -1035.573 where: short stacking energy: -438.369 Base-Backbone interact. energy: 4.495 local terms energy: -475.228458 where: bonds (distance) C4'-P energy: -97.943 bonds (distance) P-C4' energy: -85.973 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -116.533 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: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1222.257853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.257853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.257853 (E_RNA) where: Base-Base interactions energy: -784.722 where: short stacking energy: -338.711 Base-Backbone interact. energy: -1.005 local terms energy: -436.530633 where: bonds (distance) C4'-P energy: -94.444 bonds (distance) P-C4' energy: -105.572 flat angles C4'-P-C4' energy: -102.763 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -61.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1076.085244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.085244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.085244 (E_RNA) where: Base-Base interactions energy: -671.187 where: short stacking energy: -334.363 Base-Backbone interact. energy: 4.864 local terms energy: -409.762379 where: bonds (distance) C4'-P energy: -92.303 bonds (distance) P-C4' energy: -95.659 flat angles C4'-P-C4' energy: -94.077 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -69.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -2375.188963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.188963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.188963 (E_RNA) where: Base-Base interactions energy: -1652.188 where: short stacking energy: -684.450 Base-Backbone interact. energy: -0.997 local terms energy: -722.003846 where: bonds (distance) C4'-P energy: -132.560 bonds (distance) P-C4' energy: -128.367 flat angles C4'-P-C4' energy: -147.779 flat angles P-C4'-P energy: -102.827 tors. eta vs tors. theta energy: -210.471 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: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2270.723885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.723885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.723885 (E_RNA) where: Base-Base interactions energy: -1611.651 where: short stacking energy: -643.124 Base-Backbone interact. energy: -0.772 local terms energy: -658.301467 where: bonds (distance) C4'-P energy: -106.197 bonds (distance) P-C4' energy: -129.284 flat angles C4'-P-C4' energy: -136.967 flat angles P-C4'-P energy: -88.757 tors. eta vs tors. theta energy: -197.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2158.767662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.767662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.767662 (E_RNA) where: Base-Base interactions energy: -1501.981 where: short stacking energy: -620.048 Base-Backbone interact. energy: 0.971 local terms energy: -657.757134 where: bonds (distance) C4'-P energy: -126.893 bonds (distance) P-C4' energy: -126.942 flat angles C4'-P-C4' energy: -136.002 flat angles P-C4'-P energy: -91.337 tors. eta vs tors. theta energy: -176.583 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: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2094.803143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.803143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.803143 (E_RNA) where: Base-Base interactions energy: -1441.140 where: short stacking energy: -583.647 Base-Backbone interact. energy: 0.863 local terms energy: -654.526740 where: bonds (distance) C4'-P energy: -120.373 bonds (distance) P-C4' energy: -123.607 flat angles C4'-P-C4' energy: -130.644 flat angles P-C4'-P energy: -99.033 tors. eta vs tors. theta energy: -180.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1940.901536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.901536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.901536 (E_RNA) where: Base-Base interactions energy: -1355.238 where: short stacking energy: -563.608 Base-Backbone interact. energy: 6.356 local terms energy: -592.019556 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -107.978 flat angles C4'-P-C4' energy: -135.193 flat angles P-C4'-P energy: -80.883 tors. eta vs tors. theta energy: -163.101 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: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1807.006264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.006264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.006264 (E_RNA) where: Base-Base interactions energy: -1225.349 where: short stacking energy: -496.912 Base-Backbone interact. energy: -1.602 local terms energy: -580.054985 where: bonds (distance) C4'-P energy: -117.658 bonds (distance) P-C4' energy: -120.424 flat angles C4'-P-C4' energy: -124.242 flat angles P-C4'-P energy: -85.287 tors. eta vs tors. theta energy: -132.443 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: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1605.047786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.047786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.047786 (E_RNA) where: Base-Base interactions energy: -1077.094 where: short stacking energy: -463.061 Base-Backbone interact. energy: 0.310 local terms energy: -528.263484 where: bonds (distance) C4'-P energy: -107.172 bonds (distance) P-C4' energy: -113.211 flat angles C4'-P-C4' energy: -119.924 flat angles P-C4'-P energy: -66.035 tors. eta vs tors. theta energy: -121.921 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: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1535.197915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.197915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.197915 (E_RNA) where: Base-Base interactions energy: -1035.478 where: short stacking energy: -441.839 Base-Backbone interact. energy: 1.494 local terms energy: -501.213856 where: bonds (distance) C4'-P energy: -112.240 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -113.234 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -114.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1253.837885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.837885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.837885 (E_RNA) where: Base-Base interactions energy: -807.810 where: short stacking energy: -343.835 Base-Backbone interact. energy: -1.999 local terms energy: -444.029105 where: bonds (distance) C4'-P energy: -94.286 bonds (distance) P-C4' energy: -98.673 flat angles C4'-P-C4' energy: -103.636 flat angles P-C4'-P energy: -56.373 tors. eta vs tors. theta energy: -91.061 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: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1061.593138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.593138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.593138 (E_RNA) where: Base-Base interactions energy: -667.348 where: short stacking energy: -294.928 Base-Backbone interact. energy: 1.119 local terms energy: -395.364601 where: bonds (distance) C4'-P energy: -89.848 bonds (distance) P-C4' energy: -108.156 flat angles C4'-P-C4' energy: -105.169 flat angles P-C4'-P energy: -37.592 tors. eta vs tors. theta energy: -54.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -2340.981737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.981737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.981737 (E_RNA) where: Base-Base interactions energy: -1653.028 where: short stacking energy: -666.589 Base-Backbone interact. energy: -0.439 local terms energy: -687.514686 where: bonds (distance) C4'-P energy: -108.478 bonds (distance) P-C4' energy: -125.235 flat angles C4'-P-C4' energy: -149.386 flat angles P-C4'-P energy: -100.693 tors. eta vs tors. theta energy: -203.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2246.594731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.594731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.594731 (E_RNA) where: Base-Base interactions energy: -1566.905 where: short stacking energy: -617.490 Base-Backbone interact. energy: -3.529 local terms energy: -676.160262 where: bonds (distance) C4'-P energy: -122.153 bonds (distance) P-C4' energy: -126.501 flat angles C4'-P-C4' energy: -143.266 flat angles P-C4'-P energy: -105.208 tors. eta vs tors. theta energy: -179.032 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: 3, replica: 6 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2169.627711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.627711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.627711 (E_RNA) where: Base-Base interactions energy: -1504.772 where: short stacking energy: -612.653 Base-Backbone interact. energy: -0.749 local terms energy: -664.106798 where: bonds (distance) C4'-P energy: -106.382 bonds (distance) P-C4' energy: -134.702 flat angles C4'-P-C4' energy: -136.534 flat angles P-C4'-P energy: -99.971 tors. eta vs tors. theta energy: -186.519 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: 364 Temperature: 1.050000 Total energy: -2054.839821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.839821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.839821 (E_RNA) where: Base-Base interactions energy: -1449.386 where: short stacking energy: -617.612 Base-Backbone interact. energy: 1.437 local terms energy: -606.890293 where: bonds (distance) C4'-P energy: -97.443 bonds (distance) P-C4' energy: -123.392 flat angles C4'-P-C4' energy: -125.212 flat angles P-C4'-P energy: -81.661 tors. eta vs tors. theta energy: -179.183 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: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1983.213119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.213119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.213119 (E_RNA) where: Base-Base interactions energy: -1394.389 where: short stacking energy: -570.205 Base-Backbone interact. energy: -0.248 local terms energy: -588.575873 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -115.869 flat angles C4'-P-C4' energy: -126.353 flat angles P-C4'-P energy: -80.455 tors. eta vs tors. theta energy: -157.909 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: 2 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1762.098865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.098865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.098865 (E_RNA) where: Base-Base interactions energy: -1225.152 where: short stacking energy: -483.474 Base-Backbone interact. energy: -2.642 local terms energy: -534.305416 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -107.573 flat angles C4'-P-C4' energy: -124.457 flat angles P-C4'-P energy: -79.427 tors. eta vs tors. theta energy: -125.831 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: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1612.172187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.172187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.172187 (E_RNA) where: Base-Base interactions energy: -1097.437 where: short stacking energy: -480.295 Base-Backbone interact. energy: -0.420 local terms energy: -514.314718 where: bonds (distance) C4'-P energy: -84.307 bonds (distance) P-C4' energy: -110.482 flat angles C4'-P-C4' energy: -119.771 flat angles P-C4'-P energy: -71.167 tors. eta vs tors. theta energy: -128.588 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: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1516.208127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.208127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.208127 (E_RNA) where: Base-Base interactions energy: -1028.596 where: short stacking energy: -418.674 Base-Backbone interact. energy: 2.899 local terms energy: -490.510978 where: bonds (distance) C4'-P energy: -109.385 bonds (distance) P-C4' energy: -99.904 flat angles C4'-P-C4' energy: -107.391 flat angles P-C4'-P energy: -70.177 tors. eta vs tors. theta energy: -103.653 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: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1344.948973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.948973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.948973 (E_RNA) where: Base-Base interactions energy: -878.407 where: short stacking energy: -354.401 Base-Backbone interact. energy: -0.363 local terms energy: -466.178911 where: bonds (distance) C4'-P energy: -91.040 bonds (distance) P-C4' energy: -121.346 flat angles C4'-P-C4' energy: -113.117 flat angles P-C4'-P energy: -63.274 tors. eta vs tors. theta energy: -77.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1118.996210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.996210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.996210 (E_RNA) where: Base-Base interactions energy: -724.362 where: short stacking energy: -313.090 Base-Backbone interact. energy: 6.202 local terms energy: -400.835811 where: bonds (distance) C4'-P energy: -74.852 bonds (distance) P-C4' energy: -108.239 flat angles C4'-P-C4' energy: -98.861 flat angles P-C4'-P energy: -60.390 tors. eta vs tors. theta energy: -58.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -2347.526440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.526440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.526440 (E_RNA) where: Base-Base interactions energy: -1657.401 where: short stacking energy: -663.410 Base-Backbone interact. energy: -1.577 local terms energy: -688.548802 where: bonds (distance) C4'-P energy: -114.245 bonds (distance) P-C4' energy: -124.871 flat angles C4'-P-C4' energy: -147.395 flat angles P-C4'-P energy: -96.024 tors. eta vs tors. theta energy: -206.014 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: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2259.142427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.142427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.142427 (E_RNA) where: Base-Base interactions energy: -1581.438 where: short stacking energy: -629.923 Base-Backbone interact. energy: -3.390 local terms energy: -674.314642 where: bonds (distance) C4'-P energy: -120.919 bonds (distance) P-C4' energy: -120.690 flat angles C4'-P-C4' energy: -141.896 flat angles P-C4'-P energy: -93.228 tors. eta vs tors. theta energy: -197.582 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: 365 Temperature: 1.000000 Total energy: -2182.328382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.328382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.328382 (E_RNA) where: Base-Base interactions energy: -1551.832 where: short stacking energy: -625.824 Base-Backbone interact. energy: -4.662 local terms energy: -625.834062 where: bonds (distance) C4'-P energy: -100.032 bonds (distance) P-C4' energy: -125.119 flat angles C4'-P-C4' energy: -128.332 flat angles P-C4'-P energy: -92.501 tors. eta vs tors. theta energy: -179.850 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: 365 Temperature: 1.050000 Total energy: -2065.942028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.942028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.942028 (E_RNA) where: Base-Base interactions energy: -1428.611 where: short stacking energy: -572.043 Base-Backbone interact. energy: 0.019 local terms energy: -637.350717 where: bonds (distance) C4'-P energy: -114.731 bonds (distance) P-C4' energy: -112.137 flat angles C4'-P-C4' energy: -138.345 flat angles P-C4'-P energy: -94.210 tors. eta vs tors. theta energy: -177.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2002.356186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.356186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.356186 (E_RNA) where: Base-Base interactions energy: -1402.809 where: short stacking energy: -564.158 Base-Backbone interact. energy: -2.865 local terms energy: -596.681783 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -139.781 flat angles P-C4'-P energy: -78.484 tors. eta vs tors. theta energy: -169.385 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: 6, replica: 2 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1808.520742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.520742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.520742 (E_RNA) where: Base-Base interactions energy: -1251.474 where: short stacking energy: -505.944 Base-Backbone interact. energy: -2.716 local terms energy: -554.330705 where: bonds (distance) C4'-P energy: -113.978 bonds (distance) P-C4' energy: -102.152 flat angles C4'-P-C4' energy: -116.749 flat angles P-C4'-P energy: -75.904 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: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1626.893800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.893800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.893800 (E_RNA) where: Base-Base interactions energy: -1075.433 where: short stacking energy: -452.876 Base-Backbone interact. energy: -0.130 local terms energy: -551.330261 where: bonds (distance) C4'-P energy: -103.134 bonds (distance) P-C4' energy: -124.647 flat angles C4'-P-C4' energy: -106.737 flat angles P-C4'-P energy: -88.564 tors. eta vs tors. theta energy: -128.248 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: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1523.667936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.667936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.667936 (E_RNA) where: Base-Base interactions energy: -1026.953 where: short stacking energy: -431.985 Base-Backbone interact. energy: -1.744 local terms energy: -494.970786 where: bonds (distance) C4'-P energy: -98.021 bonds (distance) P-C4' energy: -107.036 flat angles C4'-P-C4' energy: -116.110 flat angles P-C4'-P energy: -60.831 tors. eta vs tors. theta energy: -112.974 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: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1285.982803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.982803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.982803 (E_RNA) where: Base-Base interactions energy: -816.323 where: short stacking energy: -344.582 Base-Backbone interact. energy: -1.879 local terms energy: -467.780418 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -109.680 flat angles C4'-P-C4' energy: -111.776 flat angles P-C4'-P energy: -69.342 tors. eta vs tors. theta energy: -84.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1139.571581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.571581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.571581 (E_RNA) where: Base-Base interactions energy: -737.736 where: short stacking energy: -333.965 Base-Backbone interact. energy: -2.400 local terms energy: -399.435702 where: bonds (distance) C4'-P energy: -92.669 bonds (distance) P-C4' energy: -102.430 flat angles C4'-P-C4' energy: -100.272 flat angles P-C4'-P energy: -45.855 tors. eta vs tors. theta energy: -58.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -2348.782847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.782847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.782847 (E_RNA) where: Base-Base interactions energy: -1641.100 where: short stacking energy: -670.416 Base-Backbone interact. energy: 3.193 local terms energy: -710.875691 where: bonds (distance) C4'-P energy: -123.670 bonds (distance) P-C4' energy: -128.731 flat angles C4'-P-C4' energy: -152.510 flat angles P-C4'-P energy: -101.091 tors. eta vs tors. theta energy: -204.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2271.653512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.653512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.653512 (E_RNA) where: Base-Base interactions energy: -1588.798 where: short stacking energy: -647.662 Base-Backbone interact. energy: -5.027 local terms energy: -677.827976 where: bonds (distance) C4'-P energy: -120.634 bonds (distance) P-C4' energy: -119.978 flat angles C4'-P-C4' energy: -150.103 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -192.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2173.583885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.583885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.583885 (E_RNA) where: Base-Base interactions energy: -1537.419 where: short stacking energy: -629.568 Base-Backbone interact. energy: -1.910 local terms energy: -634.254387 where: bonds (distance) C4'-P energy: -103.400 bonds (distance) P-C4' energy: -105.380 flat angles C4'-P-C4' energy: -141.666 flat angles P-C4'-P energy: -96.623 tors. eta vs tors. theta energy: -187.186 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: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2096.631401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.631401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.631401 (E_RNA) where: Base-Base interactions energy: -1470.427 where: short stacking energy: -605.244 Base-Backbone interact. energy: -0.413 local terms energy: -625.791599 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -108.942 flat angles C4'-P-C4' energy: -126.530 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -187.237 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: 366 Temperature: 1.100000 Total energy: -1992.133219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.133219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.133219 (E_RNA) where: Base-Base interactions energy: -1406.398 where: short stacking energy: -581.321 Base-Backbone interact. energy: -2.915 local terms energy: -582.820055 where: bonds (distance) C4'-P energy: -90.129 bonds (distance) P-C4' energy: -99.810 flat angles C4'-P-C4' energy: -129.248 flat angles P-C4'-P energy: -90.984 tors. eta vs tors. theta energy: -172.650 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: 2 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1823.080340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.080340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.080340 (E_RNA) where: Base-Base interactions energy: -1262.611 where: short stacking energy: -495.802 Base-Backbone interact. energy: 1.119 local terms energy: -561.589284 where: bonds (distance) C4'-P energy: -89.573 bonds (distance) P-C4' energy: -111.783 flat angles C4'-P-C4' energy: -121.678 flat angles P-C4'-P energy: -97.172 tors. eta vs tors. theta energy: -141.383 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: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1641.023697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.023697 (E_RNA) where: Base-Base interactions energy: -1103.280 where: short stacking energy: -474.604 Base-Backbone interact. energy: 0.811 local terms energy: -538.554742 where: bonds (distance) C4'-P energy: -103.847 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -121.464 flat angles P-C4'-P energy: -72.058 tors. eta vs tors. theta energy: -122.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1509.869147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.869147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.869147 (E_RNA) where: Base-Base interactions energy: -995.365 where: short stacking energy: -430.157 Base-Backbone interact. energy: -2.053 local terms energy: -512.451256 where: bonds (distance) C4'-P energy: -89.161 bonds (distance) P-C4' energy: -108.513 flat angles C4'-P-C4' energy: -113.200 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -128.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1293.711609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.711609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.711609 (E_RNA) where: Base-Base interactions energy: -832.519 where: short stacking energy: -348.729 Base-Backbone interact. energy: -2.389 local terms energy: -458.802820 where: bonds (distance) C4'-P energy: -100.502 bonds (distance) P-C4' energy: -106.661 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -79.359 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: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1113.331128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.331128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.331128 (E_RNA) where: Base-Base interactions energy: -690.842 where: short stacking energy: -308.398 Base-Backbone interact. energy: -2.557 local terms energy: -419.931684 where: bonds (distance) C4'-P energy: -80.376 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -105.642 flat angles P-C4'-P energy: -48.655 tors. eta vs tors. theta energy: -60.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -2374.509202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.509202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.509202 (E_RNA) where: Base-Base interactions energy: -1637.323 where: short stacking energy: -680.734 Base-Backbone interact. energy: -0.089 local terms energy: -737.097228 where: bonds (distance) C4'-P energy: -127.871 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -156.420 flat angles P-C4'-P energy: -105.831 tors. eta vs tors. theta energy: -214.183 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: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2262.568434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.568434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.568434 (E_RNA) where: Base-Base interactions energy: -1596.605 where: short stacking energy: -647.067 Base-Backbone interact. energy: -2.802 local terms energy: -663.161438 where: bonds (distance) C4'-P energy: -109.905 bonds (distance) P-C4' energy: -105.431 flat angles C4'-P-C4' energy: -149.403 flat angles P-C4'-P energy: -99.955 tors. eta vs tors. theta energy: -198.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2189.099551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.099551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.099551 (E_RNA) where: Base-Base interactions energy: -1547.319 where: short stacking energy: -631.732 Base-Backbone interact. energy: -5.198 local terms energy: -636.582718 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -112.995 flat angles C4'-P-C4' energy: -139.259 flat angles P-C4'-P energy: -99.935 tors. eta vs tors. theta energy: -178.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2100.914057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.914057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.914057 (E_RNA) where: Base-Base interactions energy: -1460.796 where: short stacking energy: -608.460 Base-Backbone interact. energy: -2.435 local terms energy: -637.682377 where: bonds (distance) C4'-P energy: -116.781 bonds (distance) P-C4' energy: -115.129 flat angles C4'-P-C4' energy: -137.139 flat angles P-C4'-P energy: -79.801 tors. eta vs tors. theta energy: -188.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1977.561759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.561759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.561759 (E_RNA) where: Base-Base interactions energy: -1385.038 where: short stacking energy: -576.259 Base-Backbone interact. energy: 3.877 local terms energy: -596.401109 where: bonds (distance) C4'-P energy: -115.379 bonds (distance) P-C4' energy: -108.093 flat angles C4'-P-C4' energy: -131.238 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: -173.281 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: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1848.223192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.223192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.223192 (E_RNA) where: Base-Base interactions energy: -1286.844 where: short stacking energy: -525.326 Base-Backbone interact. energy: 0.162 local terms energy: -561.541588 where: bonds (distance) C4'-P energy: -112.456 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -128.308 flat angles P-C4'-P energy: -81.679 tors. eta vs tors. theta energy: -148.052 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: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1603.248936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.248936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.248936 (E_RNA) where: Base-Base interactions energy: -1087.926 where: short stacking energy: -471.844 Base-Backbone interact. energy: -0.244 local terms energy: -515.078784 where: bonds (distance) C4'-P energy: -100.040 bonds (distance) P-C4' energy: -109.605 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -76.876 tors. eta vs tors. theta energy: -116.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1520.159629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.159629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.159629 (E_RNA) where: Base-Base interactions energy: -1039.658 where: short stacking energy: -422.053 Base-Backbone interact. energy: -1.186 local terms energy: -479.316350 where: bonds (distance) C4'-P energy: -106.178 bonds (distance) P-C4' energy: -86.676 flat angles C4'-P-C4' energy: -98.755 flat angles P-C4'-P energy: -62.030 tors. eta vs tors. theta energy: -125.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1295.702952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.702952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.702952 (E_RNA) where: Base-Base interactions energy: -845.385 where: short stacking energy: -349.569 Base-Backbone interact. energy: 1.394 local terms energy: -451.712448 where: bonds (distance) C4'-P energy: -97.306 bonds (distance) P-C4' energy: -107.618 flat angles C4'-P-C4' energy: -96.901 flat angles P-C4'-P energy: -69.429 tors. eta vs tors. theta energy: -80.459 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: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1094.919593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.919593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.919593 (E_RNA) where: Base-Base interactions energy: -706.964 where: short stacking energy: -300.769 Base-Backbone interact. energy: -0.315 local terms energy: -387.640343 where: bonds (distance) C4'-P energy: -87.479 bonds (distance) P-C4' energy: -93.137 flat angles C4'-P-C4' energy: -98.503 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -52.582 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: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -2375.959932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.959932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.959932 (E_RNA) where: Base-Base interactions energy: -1678.233 where: short stacking energy: -685.715 Base-Backbone interact. energy: -3.320 local terms energy: -694.406821 where: bonds (distance) C4'-P energy: -122.949 bonds (distance) P-C4' energy: -117.233 flat angles C4'-P-C4' energy: -150.227 flat angles P-C4'-P energy: -97.689 tors. eta vs tors. theta energy: -206.309 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2257.825713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.825713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.825713 (E_RNA) where: Base-Base interactions energy: -1592.300 where: short stacking energy: -626.672 Base-Backbone interact. energy: -3.585 local terms energy: -661.940215 where: bonds (distance) C4'-P energy: -106.775 bonds (distance) P-C4' energy: -137.704 flat angles C4'-P-C4' energy: -141.498 flat angles P-C4'-P energy: -87.395 tors. eta vs tors. theta energy: -188.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2197.628712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.628712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.628712 (E_RNA) where: Base-Base interactions energy: -1546.759 where: short stacking energy: -635.426 Base-Backbone interact. energy: -1.172 local terms energy: -649.697488 where: bonds (distance) C4'-P energy: -115.016 bonds (distance) P-C4' energy: -115.005 flat angles C4'-P-C4' energy: -134.359 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -193.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2135.838555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.838555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.838555 (E_RNA) where: Base-Base interactions energy: -1485.966 where: short stacking energy: -604.510 Base-Backbone interact. energy: -1.164 local terms energy: -648.708734 where: bonds (distance) C4'-P energy: -108.744 bonds (distance) P-C4' energy: -120.577 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -101.809 tors. eta vs tors. theta energy: -184.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1939.839561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.839561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.839561 (E_RNA) where: Base-Base interactions energy: -1332.881 where: short stacking energy: -529.222 Base-Backbone interact. energy: -1.196 local terms energy: -605.762329 where: bonds (distance) C4'-P energy: -120.817 bonds (distance) P-C4' energy: -114.988 flat angles C4'-P-C4' energy: -111.322 flat angles P-C4'-P energy: -83.428 tors. eta vs tors. theta energy: -175.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1845.379986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.379986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.379986 (E_RNA) where: Base-Base interactions energy: -1289.696 where: short stacking energy: -534.716 Base-Backbone interact. energy: -3.668 local terms energy: -552.015913 where: bonds (distance) C4'-P energy: -103.442 bonds (distance) P-C4' energy: -102.325 flat angles C4'-P-C4' energy: -118.890 flat angles P-C4'-P energy: -81.746 tors. eta vs tors. theta energy: -145.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1587.875358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.875358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.875358 (E_RNA) where: Base-Base interactions energy: -1052.373 where: short stacking energy: -441.787 Base-Backbone interact. energy: 1.718 local terms energy: -537.219641 where: bonds (distance) C4'-P energy: -107.308 bonds (distance) P-C4' energy: -106.018 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -85.041 tors. eta vs tors. theta energy: -124.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1475.852229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.852229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.852229 (E_RNA) where: Base-Base interactions energy: -992.311 where: short stacking energy: -411.418 Base-Backbone interact. energy: -0.469 local terms energy: -483.071988 where: bonds (distance) C4'-P energy: -99.324 bonds (distance) P-C4' energy: -95.418 flat angles C4'-P-C4' energy: -108.813 flat angles P-C4'-P energy: -68.671 tors. eta vs tors. theta energy: -110.846 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: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1257.684914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.684914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.684914 (E_RNA) where: Base-Base interactions energy: -808.031 where: short stacking energy: -356.149 Base-Backbone interact. energy: -1.650 local terms energy: -448.004182 where: bonds (distance) C4'-P energy: -101.547 bonds (distance) P-C4' energy: -102.660 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -94.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1093.439737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.439737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.439737 (E_RNA) where: Base-Base interactions energy: -703.655 where: short stacking energy: -322.148 Base-Backbone interact. energy: 9.871 local terms energy: -399.655576 where: bonds (distance) C4'-P energy: -91.580 bonds (distance) P-C4' energy: -80.523 flat angles C4'-P-C4' energy: -108.084 flat angles P-C4'-P energy: -57.596 tors. eta vs tors. theta energy: -61.873 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: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -2361.050914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.050914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.050914 (E_RNA) where: Base-Base interactions energy: -1669.998 where: short stacking energy: -680.457 Base-Backbone interact. energy: -0.529 local terms energy: -690.523815 where: bonds (distance) C4'-P energy: -106.085 bonds (distance) P-C4' energy: -129.907 flat angles C4'-P-C4' energy: -151.103 flat angles P-C4'-P energy: -98.133 tors. eta vs tors. theta energy: -205.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2266.624595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.624595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.624595 (E_RNA) where: Base-Base interactions energy: -1596.880 where: short stacking energy: -634.021 Base-Backbone interact. energy: -4.648 local terms energy: -665.096573 where: bonds (distance) C4'-P energy: -108.132 bonds (distance) P-C4' energy: -131.973 flat angles C4'-P-C4' energy: -144.696 flat angles P-C4'-P energy: -83.639 tors. eta vs tors. theta energy: -196.658 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: 369 Temperature: 1.000000 Total energy: -2163.622513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.622513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.622513 (E_RNA) where: Base-Base interactions energy: -1554.940 where: short stacking energy: -642.918 Base-Backbone interact. energy: -1.395 local terms energy: -607.287359 where: bonds (distance) C4'-P energy: -96.458 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -89.096 tors. eta vs tors. theta energy: -184.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2143.547276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.547276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.547276 (E_RNA) where: Base-Base interactions energy: -1495.008 where: short stacking energy: -606.740 Base-Backbone interact. energy: -1.630 local terms energy: -646.909199 where: bonds (distance) C4'-P energy: -108.842 bonds (distance) P-C4' energy: -117.817 flat angles C4'-P-C4' energy: -134.904 flat angles P-C4'-P energy: -89.725 tors. eta vs tors. theta energy: -195.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1927.327706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.327706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.327706 (E_RNA) where: Base-Base interactions energy: -1348.594 where: short stacking energy: -553.948 Base-Backbone interact. energy: 0.306 local terms energy: -579.039502 where: bonds (distance) C4'-P energy: -97.557 bonds (distance) P-C4' energy: -104.734 flat angles C4'-P-C4' energy: -123.143 flat angles P-C4'-P energy: -81.299 tors. eta vs tors. theta energy: -172.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1762.248943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.248943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.248943 (E_RNA) where: Base-Base interactions energy: -1221.734 where: short stacking energy: -473.125 Base-Backbone interact. energy: 7.077 local terms energy: -547.592500 where: bonds (distance) C4'-P energy: -107.201 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -111.329 flat angles P-C4'-P energy: -75.561 tors. eta vs tors. theta energy: -130.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1615.162489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.162489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.162489 (E_RNA) where: Base-Base interactions energy: -1061.802 where: short stacking energy: -449.196 Base-Backbone interact. energy: 0.640 local terms energy: -553.999831 where: bonds (distance) C4'-P energy: -108.801 bonds (distance) P-C4' energy: -105.724 flat angles C4'-P-C4' energy: -129.450 flat angles P-C4'-P energy: -87.397 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: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1479.558693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.558693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.558693 (E_RNA) where: Base-Base interactions energy: -1001.723 where: short stacking energy: -427.842 Base-Backbone interact. energy: -0.683 local terms energy: -477.153124 where: bonds (distance) C4'-P energy: -104.725 bonds (distance) P-C4' energy: -97.679 flat angles C4'-P-C4' energy: -108.981 flat angles P-C4'-P energy: -64.155 tors. eta vs tors. theta energy: -101.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1273.947653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.947653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.947653 (E_RNA) where: Base-Base interactions energy: -800.801 where: short stacking energy: -343.700 Base-Backbone interact. energy: -0.227 local terms energy: -472.919489 where: bonds (distance) C4'-P energy: -105.961 bonds (distance) P-C4' energy: -101.848 flat angles C4'-P-C4' energy: -108.757 flat angles P-C4'-P energy: -76.747 tors. eta vs tors. theta energy: -79.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1068.427652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.427652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.427652 (E_RNA) where: Base-Base interactions energy: -660.065 where: short stacking energy: -292.741 Base-Backbone interact. energy: -0.806 local terms energy: -407.556569 where: bonds (distance) C4'-P energy: -99.208 bonds (distance) P-C4' energy: -88.268 flat angles C4'-P-C4' energy: -92.600 flat angles P-C4'-P energy: -72.849 tors. eta vs tors. theta energy: -54.632 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: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -2325.199127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.199127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.199127 (E_RNA) where: Base-Base interactions energy: -1650.911 where: short stacking energy: -641.892 Base-Backbone interact. energy: -3.364 local terms energy: -670.924934 where: bonds (distance) C4'-P energy: -118.452 bonds (distance) P-C4' energy: -114.091 flat angles C4'-P-C4' energy: -139.069 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -202.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2333.943686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.943686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.943686 (E_RNA) where: Base-Base interactions energy: -1640.672 where: short stacking energy: -664.134 Base-Backbone interact. energy: -0.941 local terms energy: -692.330895 where: bonds (distance) C4'-P energy: -127.607 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -148.758 flat angles P-C4'-P energy: -93.534 tors. eta vs tors. theta energy: -203.457 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: 9 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2194.906174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.906174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.906174 (E_RNA) where: Base-Base interactions energy: -1534.899 where: short stacking energy: -634.678 Base-Backbone interact. energy: -1.556 local terms energy: -658.451689 where: bonds (distance) C4'-P energy: -117.338 bonds (distance) P-C4' energy: -116.293 flat angles C4'-P-C4' energy: -139.782 flat angles P-C4'-P energy: -89.753 tors. eta vs tors. theta energy: -195.285 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: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2127.767442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.767442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.767442 (E_RNA) where: Base-Base interactions energy: -1531.224 where: short stacking energy: -617.153 Base-Backbone interact. energy: -1.428 local terms energy: -595.115131 where: bonds (distance) C4'-P energy: -104.812 bonds (distance) P-C4' energy: -87.634 flat angles C4'-P-C4' energy: -131.428 flat angles P-C4'-P energy: -85.184 tors. eta vs tors. theta energy: -186.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1939.208844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.208844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.208844 (E_RNA) where: Base-Base interactions energy: -1367.124 where: short stacking energy: -570.450 Base-Backbone interact. energy: 0.382 local terms energy: -572.467057 where: bonds (distance) C4'-P energy: -100.957 bonds (distance) P-C4' energy: -96.223 flat angles C4'-P-C4' energy: -123.499 flat angles P-C4'-P energy: -81.533 tors. eta vs tors. theta energy: -170.256 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: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1773.051055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.051055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.051055 (E_RNA) where: Base-Base interactions energy: -1195.186 where: short stacking energy: -489.251 Base-Backbone interact. energy: -3.116 local terms energy: -574.749710 where: bonds (distance) C4'-P energy: -106.523 bonds (distance) P-C4' energy: -119.381 flat angles C4'-P-C4' energy: -121.503 flat angles P-C4'-P energy: -83.888 tors. eta vs tors. theta energy: -143.454 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: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1609.229489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.229489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.229489 (E_RNA) where: Base-Base interactions energy: -1080.654 where: short stacking energy: -458.754 Base-Backbone interact. energy: -1.290 local terms energy: -527.285235 where: bonds (distance) C4'-P energy: -107.577 bonds (distance) P-C4' energy: -111.226 flat angles C4'-P-C4' energy: -122.277 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -126.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1478.501422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.501422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.501422 (E_RNA) where: Base-Base interactions energy: -985.412 where: short stacking energy: -415.452 Base-Backbone interact. energy: -1.290 local terms energy: -491.799195 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -109.880 flat angles C4'-P-C4' energy: -104.597 flat angles P-C4'-P energy: -74.927 tors. eta vs tors. theta energy: -100.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1291.798526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.798526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.798526 (E_RNA) where: Base-Base interactions energy: -816.132 where: short stacking energy: -349.149 Base-Backbone interact. energy: -1.071 local terms energy: -474.595847 where: bonds (distance) C4'-P energy: -94.753 bonds (distance) P-C4' energy: -107.705 flat angles C4'-P-C4' energy: -107.022 flat angles P-C4'-P energy: -85.081 tors. eta vs tors. theta energy: -80.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1062.750068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.750068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.750068 (E_RNA) where: Base-Base interactions energy: -652.229 where: short stacking energy: -287.051 Base-Backbone interact. energy: 1.055 local terms energy: -411.576181 where: bonds (distance) C4'-P energy: -82.431 bonds (distance) P-C4' energy: -98.009 flat angles C4'-P-C4' energy: -102.206 flat angles P-C4'-P energy: -66.858 tors. eta vs tors. theta energy: -62.074 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: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -2342.093370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.093370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.093370 (E_RNA) where: Base-Base interactions energy: -1639.556 where: short stacking energy: -654.387 Base-Backbone interact. energy: -1.715 local terms energy: -700.822472 where: bonds (distance) C4'-P energy: -120.214 bonds (distance) P-C4' energy: -122.067 flat angles C4'-P-C4' energy: -147.477 flat angles P-C4'-P energy: -104.811 tors. eta vs tors. theta energy: -206.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2321.014023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.014023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.014023 (E_RNA) where: Base-Base interactions energy: -1625.716 where: short stacking energy: -655.392 Base-Backbone interact. energy: -2.892 local terms energy: -692.406127 where: bonds (distance) C4'-P energy: -134.943 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -135.758 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -198.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2191.637845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.637845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.637845 (E_RNA) where: Base-Base interactions energy: -1542.876 where: short stacking energy: -627.520 Base-Backbone interact. energy: -2.243 local terms energy: -646.519214 where: bonds (distance) C4'-P energy: -114.098 bonds (distance) P-C4' energy: -120.450 flat angles C4'-P-C4' energy: -122.404 flat angles P-C4'-P energy: -94.202 tors. eta vs tors. theta energy: -195.366 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: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2119.027642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.027642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.027642 (E_RNA) where: Base-Base interactions energy: -1530.358 where: short stacking energy: -604.979 Base-Backbone interact. energy: -2.876 local terms energy: -585.793065 where: bonds (distance) C4'-P energy: -100.073 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -120.372 flat angles P-C4'-P energy: -85.109 tors. eta vs tors. theta energy: -170.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1981.602126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.602126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.602126 (E_RNA) where: Base-Base interactions energy: -1375.844 where: short stacking energy: -565.563 Base-Backbone interact. energy: -3.350 local terms energy: -602.408204 where: bonds (distance) C4'-P energy: -107.805 bonds (distance) P-C4' energy: -115.328 flat angles C4'-P-C4' energy: -122.847 flat angles P-C4'-P energy: -90.881 tors. eta vs tors. theta energy: -165.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1758.922193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.922193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.922193 (E_RNA) where: Base-Base interactions energy: -1208.656 where: short stacking energy: -494.344 Base-Backbone interact. energy: 0.782 local terms energy: -551.048767 where: bonds (distance) C4'-P energy: -97.382 bonds (distance) P-C4' energy: -110.626 flat angles C4'-P-C4' energy: -124.503 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -132.777 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: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1603.071959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.071959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.071959 (E_RNA) where: Base-Base interactions energy: -1102.832 where: short stacking energy: -464.734 Base-Backbone interact. energy: -1.522 local terms energy: -498.717785 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -98.297 flat angles C4'-P-C4' energy: -108.543 flat angles P-C4'-P energy: -81.023 tors. eta vs tors. theta energy: -123.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1428.179925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.179925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.179925 (E_RNA) where: Base-Base interactions energy: -955.941 where: short stacking energy: -397.141 Base-Backbone interact. energy: 2.210 local terms energy: -474.449025 where: bonds (distance) C4'-P energy: -83.800 bonds (distance) P-C4' energy: -103.835 flat angles C4'-P-C4' energy: -132.780 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -77.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1290.392458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.392458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.392458 (E_RNA) where: Base-Base interactions energy: -831.442 where: short stacking energy: -359.676 Base-Backbone interact. energy: -5.236 local terms energy: -453.714033 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -94.598 flat angles C4'-P-C4' energy: -107.061 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -86.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -986.563454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.563454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.563454 (E_RNA) where: Base-Base interactions energy: -607.880 where: short stacking energy: -270.215 Base-Backbone interact. energy: 2.392 local terms energy: -381.075620 where: bonds (distance) C4'-P energy: -100.178 bonds (distance) P-C4' energy: -104.124 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -24.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -2330.374764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.374764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.374764 (E_RNA) where: Base-Base interactions energy: -1615.914 where: short stacking energy: -663.701 Base-Backbone interact. energy: -2.869 local terms energy: -711.591816 where: bonds (distance) C4'-P energy: -124.770 bonds (distance) P-C4' energy: -127.331 flat angles C4'-P-C4' energy: -155.733 flat angles P-C4'-P energy: -105.131 tors. eta vs tors. theta energy: -198.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2299.745978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.745978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.745978 (E_RNA) where: Base-Base interactions energy: -1625.463 where: short stacking energy: -627.859 Base-Backbone interact. energy: -1.560 local terms energy: -672.722957 where: bonds (distance) C4'-P energy: -112.104 bonds (distance) P-C4' energy: -123.680 flat angles C4'-P-C4' energy: -144.255 flat angles P-C4'-P energy: -96.044 tors. eta vs tors. theta energy: -196.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2207.104127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.104127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.104127 (E_RNA) where: Base-Base interactions energy: -1555.572 where: short stacking energy: -631.312 Base-Backbone interact. energy: 0.619 local terms energy: -652.150804 where: bonds (distance) C4'-P energy: -121.517 bonds (distance) P-C4' energy: -114.253 flat angles C4'-P-C4' energy: -129.138 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -194.949 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: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2128.632712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.632712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.632712 (E_RNA) where: Base-Base interactions energy: -1511.253 where: short stacking energy: -613.102 Base-Backbone interact. energy: 4.050 local terms energy: -621.429374 where: bonds (distance) C4'-P energy: -119.379 bonds (distance) P-C4' energy: -95.526 flat angles C4'-P-C4' energy: -131.825 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -180.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1954.638014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.638014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.638014 (E_RNA) where: Base-Base interactions energy: -1361.021 where: short stacking energy: -557.744 Base-Backbone interact. energy: -2.064 local terms energy: -591.553093 where: bonds (distance) C4'-P energy: -115.255 bonds (distance) P-C4' energy: -116.671 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -70.435 tors. eta vs tors. theta energy: -162.564 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: 372 Temperature: 1.150000 Total energy: -1770.902122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.902122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.902122 (E_RNA) where: Base-Base interactions energy: -1228.437 where: short stacking energy: -496.006 Base-Backbone interact. energy: -4.674 local terms energy: -537.790558 where: bonds (distance) C4'-P energy: -106.869 bonds (distance) P-C4' energy: -105.148 flat angles C4'-P-C4' energy: -121.934 flat angles P-C4'-P energy: -62.413 tors. eta vs tors. theta energy: -141.426 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: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1609.114406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.114406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.114406 (E_RNA) where: Base-Base interactions energy: -1070.944 where: short stacking energy: -449.280 Base-Backbone interact. energy: 1.211 local terms energy: -539.380966 where: bonds (distance) C4'-P energy: -103.269 bonds (distance) P-C4' energy: -113.469 flat angles C4'-P-C4' energy: -117.025 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -131.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1448.692833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.692833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.692833 (E_RNA) where: Base-Base interactions energy: -989.389 where: short stacking energy: -413.171 Base-Backbone interact. energy: -2.606 local terms energy: -456.698002 where: bonds (distance) C4'-P energy: -84.765 bonds (distance) P-C4' energy: -97.692 flat angles C4'-P-C4' energy: -111.443 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -93.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1278.766505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.766505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.766505 (E_RNA) where: Base-Base interactions energy: -861.818 where: short stacking energy: -373.354 Base-Backbone interact. energy: -2.360 local terms energy: -414.589056 where: bonds (distance) C4'-P energy: -79.906 bonds (distance) P-C4' energy: -106.907 flat angles C4'-P-C4' energy: -95.221 flat angles P-C4'-P energy: -55.658 tors. eta vs tors. theta energy: -76.897 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: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -999.764588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.764588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.764588 (E_RNA) where: Base-Base interactions energy: -612.180 where: short stacking energy: -276.891 Base-Backbone interact. energy: 1.871 local terms energy: -389.455495 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -103.175 flat angles C4'-P-C4' energy: -93.249 flat angles P-C4'-P energy: -58.130 tors. eta vs tors. theta energy: -38.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -2351.788257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.788257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.788257 (E_RNA) where: Base-Base interactions energy: -1678.730 where: short stacking energy: -686.103 Base-Backbone interact. energy: -0.802 local terms energy: -672.255904 where: bonds (distance) C4'-P energy: -114.075 bonds (distance) P-C4' energy: -110.643 flat angles C4'-P-C4' energy: -141.052 flat angles P-C4'-P energy: -100.905 tors. eta vs tors. theta energy: -205.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2259.498170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.498170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.498170 (E_RNA) where: Base-Base interactions energy: -1586.549 where: short stacking energy: -633.689 Base-Backbone interact. energy: -3.173 local terms energy: -669.775800 where: bonds (distance) C4'-P energy: -109.380 bonds (distance) P-C4' energy: -129.320 flat angles C4'-P-C4' energy: -136.725 flat angles P-C4'-P energy: -99.712 tors. eta vs tors. theta energy: -194.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2190.216331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.216331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.216331 (E_RNA) where: Base-Base interactions energy: -1516.384 where: short stacking energy: -612.311 Base-Backbone interact. energy: -0.514 local terms energy: -673.318168 where: bonds (distance) C4'-P energy: -120.061 bonds (distance) P-C4' energy: -124.542 flat angles C4'-P-C4' energy: -144.254 flat angles P-C4'-P energy: -95.119 tors. eta vs tors. theta energy: -189.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2135.043442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.043442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.043442 (E_RNA) where: Base-Base interactions energy: -1523.049 where: short stacking energy: -617.140 Base-Backbone interact. energy: -0.071 local terms energy: -611.923184 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -120.508 flat angles C4'-P-C4' energy: -134.684 flat angles P-C4'-P energy: -83.710 tors. eta vs tors. theta energy: -172.637 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: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2010.132902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.132902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.132902 (E_RNA) where: Base-Base interactions energy: -1359.586 where: short stacking energy: -559.667 Base-Backbone interact. energy: -0.356 local terms energy: -650.190841 where: bonds (distance) C4'-P energy: -116.406 bonds (distance) P-C4' energy: -124.530 flat angles C4'-P-C4' energy: -132.769 flat angles P-C4'-P energy: -92.033 tors. eta vs tors. theta energy: -184.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1780.708563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.708563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.708563 (E_RNA) where: Base-Base interactions energy: -1259.722 where: short stacking energy: -508.576 Base-Backbone interact. energy: 0.260 local terms energy: -521.246750 where: bonds (distance) C4'-P energy: -107.352 bonds (distance) P-C4' energy: -101.914 flat angles C4'-P-C4' energy: -102.696 flat angles P-C4'-P energy: -74.472 tors. eta vs tors. theta energy: -134.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1635.335485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.335485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.335485 (E_RNA) where: Base-Base interactions energy: -1093.292 where: short stacking energy: -464.918 Base-Backbone interact. energy: -0.837 local terms energy: -541.205988 where: bonds (distance) C4'-P energy: -95.520 bonds (distance) P-C4' energy: -113.316 flat angles C4'-P-C4' energy: -117.578 flat angles P-C4'-P energy: -89.460 tors. eta vs tors. theta energy: -125.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1465.915406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.915406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.915406 (E_RNA) where: Base-Base interactions energy: -990.292 where: short stacking energy: -418.932 Base-Backbone interact. energy: 4.092 local terms energy: -479.715054 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -105.756 flat angles P-C4'-P energy: -74.536 tors. eta vs tors. theta energy: -106.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1263.048588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.048588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.048588 (E_RNA) where: Base-Base interactions energy: -822.231 where: short stacking energy: -357.894 Base-Backbone interact. energy: -1.681 local terms energy: -439.136984 where: bonds (distance) C4'-P energy: -84.289 bonds (distance) P-C4' energy: -103.187 flat angles C4'-P-C4' energy: -110.097 flat angles P-C4'-P energy: -69.159 tors. eta vs tors. theta energy: -72.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1028.758977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.758977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.758977 (E_RNA) where: Base-Base interactions energy: -672.476 where: short stacking energy: -279.013 Base-Backbone interact. energy: -0.643 local terms energy: -355.640498 where: bonds (distance) C4'-P energy: -81.072 bonds (distance) P-C4' energy: -91.045 flat angles C4'-P-C4' energy: -86.244 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: -29.553 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: 1, replica: 8 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -2324.550253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.550253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.550253 (E_RNA) where: Base-Base interactions energy: -1617.924 where: short stacking energy: -668.747 Base-Backbone interact. energy: -3.552 local terms energy: -703.073673 where: bonds (distance) C4'-P energy: -126.547 bonds (distance) P-C4' energy: -131.213 flat angles C4'-P-C4' energy: -149.875 flat angles P-C4'-P energy: -91.392 tors. eta vs tors. theta energy: -204.046 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2252.726214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.726214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.726214 (E_RNA) where: Base-Base interactions energy: -1588.082 where: short stacking energy: -640.113 Base-Backbone interact. energy: -4.784 local terms energy: -659.859979 where: bonds (distance) C4'-P energy: -107.003 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -136.669 flat angles P-C4'-P energy: -95.117 tors. eta vs tors. theta energy: -200.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2174.788990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.788990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.788990 (E_RNA) where: Base-Base interactions energy: -1530.603 where: short stacking energy: -629.325 Base-Backbone interact. energy: 0.195 local terms energy: -644.380436 where: bonds (distance) C4'-P energy: -107.407 bonds (distance) P-C4' energy: -104.077 flat angles C4'-P-C4' energy: -146.222 flat angles P-C4'-P energy: -96.007 tors. eta vs tors. theta energy: -190.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2136.484474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.484474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.484474 (E_RNA) where: Base-Base interactions energy: -1513.451 where: short stacking energy: -606.339 Base-Backbone interact. energy: -2.367 local terms energy: -620.666527 where: bonds (distance) C4'-P energy: -111.593 bonds (distance) P-C4' energy: -121.685 flat angles C4'-P-C4' energy: -121.988 flat angles P-C4'-P energy: -83.800 tors. eta vs tors. theta energy: -181.601 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: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1989.526197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.526197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.526197 (E_RNA) where: Base-Base interactions energy: -1399.721 where: short stacking energy: -584.935 Base-Backbone interact. energy: -1.269 local terms energy: -588.536679 where: bonds (distance) C4'-P energy: -103.306 bonds (distance) P-C4' energy: -97.682 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -84.234 tors. eta vs tors. theta energy: -179.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1815.435483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.435483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.435483 (E_RNA) where: Base-Base interactions energy: -1253.106 where: short stacking energy: -506.232 Base-Backbone interact. energy: 0.398 local terms energy: -562.727702 where: bonds (distance) C4'-P energy: -102.599 bonds (distance) P-C4' energy: -114.175 flat angles C4'-P-C4' energy: -113.455 flat angles P-C4'-P energy: -86.760 tors. eta vs tors. theta energy: -145.738 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: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1674.545557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.545557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.545557 (E_RNA) where: Base-Base interactions energy: -1125.395 where: short stacking energy: -487.756 Base-Backbone interact. energy: -1.194 local terms energy: -547.956640 where: bonds (distance) C4'-P energy: -121.204 bonds (distance) P-C4' energy: -87.907 flat angles C4'-P-C4' energy: -138.527 flat angles P-C4'-P energy: -68.400 tors. eta vs tors. theta energy: -131.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1491.027663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.027663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.027663 (E_RNA) where: Base-Base interactions energy: -942.906 where: short stacking energy: -402.781 Base-Backbone interact. energy: -1.258 local terms energy: -546.863936 where: bonds (distance) C4'-P energy: -108.512 bonds (distance) P-C4' energy: -121.040 flat angles C4'-P-C4' energy: -121.928 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -118.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1264.115833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.115833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.115833 (E_RNA) where: Base-Base interactions energy: -791.934 where: short stacking energy: -370.048 Base-Backbone interact. energy: -1.982 local terms energy: -470.199512 where: bonds (distance) C4'-P energy: -104.507 bonds (distance) P-C4' energy: -106.310 flat angles C4'-P-C4' energy: -117.232 flat angles P-C4'-P energy: -65.468 tors. eta vs tors. theta energy: -76.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1077.630736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.630736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.630736 (E_RNA) where: Base-Base interactions energy: -676.001 where: short stacking energy: -299.519 Base-Backbone interact. energy: -2.810 local terms energy: -398.819611 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -105.487 flat angles C4'-P-C4' energy: -104.206 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -38.291 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: 8 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -2343.856600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.856600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.856600 (E_RNA) where: Base-Base interactions energy: -1635.822 where: short stacking energy: -656.981 Base-Backbone interact. energy: -1.898 local terms energy: -706.136490 where: bonds (distance) C4'-P energy: -134.908 bonds (distance) P-C4' energy: -121.199 flat angles C4'-P-C4' energy: -146.114 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -197.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2191.744450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.744450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.744450 (E_RNA) where: Base-Base interactions energy: -1537.035 where: short stacking energy: -616.159 Base-Backbone interact. energy: -1.398 local terms energy: -653.311798 where: bonds (distance) C4'-P energy: -132.107 bonds (distance) P-C4' energy: -111.665 flat angles C4'-P-C4' energy: -130.492 flat angles P-C4'-P energy: -94.188 tors. eta vs tors. theta energy: -184.860 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: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2208.182393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.182393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.182393 (E_RNA) where: Base-Base interactions energy: -1533.512 where: short stacking energy: -604.846 Base-Backbone interact. energy: -5.725 local terms energy: -668.945642 where: bonds (distance) C4'-P energy: -117.659 bonds (distance) P-C4' energy: -119.497 flat angles C4'-P-C4' energy: -139.304 flat angles P-C4'-P energy: -100.326 tors. eta vs tors. theta energy: -192.159 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: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2106.537487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.537487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.537487 (E_RNA) where: Base-Base interactions energy: -1496.020 where: short stacking energy: -580.744 Base-Backbone interact. energy: 0.423 local terms energy: -610.940423 where: bonds (distance) C4'-P energy: -107.642 bonds (distance) P-C4' energy: -117.465 flat angles C4'-P-C4' energy: -128.169 flat angles P-C4'-P energy: -81.747 tors. eta vs tors. theta energy: -175.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1975.734550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.734550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.734550 (E_RNA) where: Base-Base interactions energy: -1396.560 where: short stacking energy: -582.953 Base-Backbone interact. energy: 1.568 local terms energy: -580.742123 where: bonds (distance) C4'-P energy: -82.345 bonds (distance) P-C4' energy: -99.220 flat angles C4'-P-C4' energy: -136.305 flat angles P-C4'-P energy: -85.999 tors. eta vs tors. theta energy: -176.874 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: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1792.373443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.373443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.373443 (E_RNA) where: Base-Base interactions energy: -1257.438 where: short stacking energy: -506.207 Base-Backbone interact. energy: 2.195 local terms energy: -537.130727 where: bonds (distance) C4'-P energy: -100.813 bonds (distance) P-C4' energy: -110.540 flat angles C4'-P-C4' energy: -104.819 flat angles P-C4'-P energy: -73.760 tors. eta vs tors. theta energy: -147.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1598.314285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.314285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.314285 (E_RNA) where: Base-Base interactions energy: -1035.035 where: short stacking energy: -449.600 Base-Backbone interact. energy: -2.152 local terms energy: -561.127551 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -123.754 flat angles C4'-P-C4' energy: -121.947 flat angles P-C4'-P energy: -90.489 tors. eta vs tors. theta energy: -123.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1461.464553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.464553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.464553 (E_RNA) where: Base-Base interactions energy: -976.828 where: short stacking energy: -438.451 Base-Backbone interact. energy: -2.253 local terms energy: -482.383711 where: bonds (distance) C4'-P energy: -82.869 bonds (distance) P-C4' energy: -106.569 flat angles C4'-P-C4' energy: -107.603 flat angles P-C4'-P energy: -80.521 tors. eta vs tors. theta energy: -104.821 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: 7 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1250.939379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.939379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.939379 (E_RNA) where: Base-Base interactions energy: -785.474 where: short stacking energy: -360.972 Base-Backbone interact. energy: -0.891 local terms energy: -464.575274 where: bonds (distance) C4'-P energy: -94.949 bonds (distance) P-C4' energy: -110.883 flat angles C4'-P-C4' energy: -104.303 flat angles P-C4'-P energy: -64.837 tors. eta vs tors. theta energy: -89.604 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: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1064.328000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.328000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.328000 (E_RNA) where: Base-Base interactions energy: -667.726 where: short stacking energy: -273.923 Base-Backbone interact. energy: 1.154 local terms energy: -397.756298 where: bonds (distance) C4'-P energy: -96.412 bonds (distance) P-C4' energy: -102.174 flat angles C4'-P-C4' energy: -93.627 flat angles P-C4'-P energy: -59.239 tors. eta vs tors. theta energy: -46.304 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: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -2339.363263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.363263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.363263 (E_RNA) where: Base-Base interactions energy: -1656.311 where: short stacking energy: -674.301 Base-Backbone interact. energy: 3.165 local terms energy: -686.216976 where: bonds (distance) C4'-P energy: -112.869 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -107.435 tors. eta vs tors. theta energy: -201.443 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: 376 Temperature: 0.950000 Total energy: -2241.657428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.657428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.657428 (E_RNA) where: Base-Base interactions energy: -1578.903 where: short stacking energy: -628.431 Base-Backbone interact. energy: -0.767 local terms energy: -661.987217 where: bonds (distance) C4'-P energy: -128.303 bonds (distance) P-C4' energy: -112.968 flat angles C4'-P-C4' energy: -137.946 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -188.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2235.698893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.698893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.698893 (E_RNA) where: Base-Base interactions energy: -1579.707 where: short stacking energy: -628.998 Base-Backbone interact. energy: -6.155 local terms energy: -649.836676 where: bonds (distance) C4'-P energy: -107.164 bonds (distance) P-C4' energy: -108.690 flat angles C4'-P-C4' energy: -138.333 flat angles P-C4'-P energy: -102.607 tors. eta vs tors. theta energy: -193.043 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: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2147.942372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.942372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.942372 (E_RNA) where: Base-Base interactions energy: -1491.859 where: short stacking energy: -619.681 Base-Backbone interact. energy: -0.988 local terms energy: -655.095280 where: bonds (distance) C4'-P energy: -113.236 bonds (distance) P-C4' energy: -119.276 flat angles C4'-P-C4' energy: -139.410 flat angles P-C4'-P energy: -97.408 tors. eta vs tors. theta energy: -185.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1965.811328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.811328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.811328 (E_RNA) where: Base-Base interactions energy: -1362.812 where: short stacking energy: -548.322 Base-Backbone interact. energy: -1.614 local terms energy: -601.385752 where: bonds (distance) C4'-P energy: -115.701 bonds (distance) P-C4' energy: -100.051 flat angles C4'-P-C4' energy: -126.017 flat angles P-C4'-P energy: -84.178 tors. eta vs tors. theta energy: -175.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1767.220012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.220012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.220012 (E_RNA) where: Base-Base interactions energy: -1205.083 where: short stacking energy: -488.531 Base-Backbone interact. energy: -1.156 local terms energy: -560.981899 where: bonds (distance) C4'-P energy: -114.753 bonds (distance) P-C4' energy: -106.529 flat angles C4'-P-C4' energy: -128.563 flat angles P-C4'-P energy: -78.108 tors. eta vs tors. theta energy: -133.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1641.614959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.614959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.614959 (E_RNA) where: Base-Base interactions energy: -1101.243 where: short stacking energy: -471.430 Base-Backbone interact. energy: -1.216 local terms energy: -539.155321 where: bonds (distance) C4'-P energy: -94.000 bonds (distance) P-C4' energy: -104.814 flat angles C4'-P-C4' energy: -126.757 flat angles P-C4'-P energy: -84.814 tors. eta vs tors. theta energy: -128.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1526.844920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.844920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.844920 (E_RNA) where: Base-Base interactions energy: -1002.757 where: short stacking energy: -410.118 Base-Backbone interact. energy: -3.450 local terms energy: -520.637220 where: bonds (distance) C4'-P energy: -99.682 bonds (distance) P-C4' energy: -108.810 flat angles C4'-P-C4' energy: -117.407 flat angles P-C4'-P energy: -77.813 tors. eta vs tors. theta energy: -116.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1281.387097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.387097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.387097 (E_RNA) where: Base-Base interactions energy: -845.230 where: short stacking energy: -369.937 Base-Backbone interact. energy: -1.006 local terms energy: -435.151001 where: bonds (distance) C4'-P energy: -79.407 bonds (distance) P-C4' energy: -104.693 flat angles C4'-P-C4' energy: -114.250 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -82.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1111.002113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.002113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.002113 (E_RNA) where: Base-Base interactions energy: -699.637 where: short stacking energy: -313.756 Base-Backbone interact. energy: -3.729 local terms energy: -407.636699 where: bonds (distance) C4'-P energy: -92.837 bonds (distance) P-C4' energy: -97.487 flat angles C4'-P-C4' energy: -94.203 flat angles P-C4'-P energy: -55.388 tors. eta vs tors. theta energy: -67.722 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: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -2324.878150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.878150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.878150 (E_RNA) where: Base-Base interactions energy: -1630.715 where: short stacking energy: -677.662 Base-Backbone interact. energy: -2.498 local terms energy: -691.664688 where: bonds (distance) C4'-P energy: -124.448 bonds (distance) P-C4' energy: -123.174 flat angles C4'-P-C4' energy: -140.396 flat angles P-C4'-P energy: -93.594 tors. eta vs tors. theta energy: -210.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2220.825560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.825560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.825560 (E_RNA) where: Base-Base interactions energy: -1584.251 where: short stacking energy: -628.561 Base-Backbone interact. energy: -0.347 local terms energy: -636.227369 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -123.427 flat angles C4'-P-C4' energy: -140.188 flat angles P-C4'-P energy: -97.220 tors. eta vs tors. theta energy: -179.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2211.072836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.072836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.072836 (E_RNA) where: Base-Base interactions energy: -1574.791 where: short stacking energy: -607.391 Base-Backbone interact. energy: -3.707 local terms energy: -632.574807 where: bonds (distance) C4'-P energy: -118.220 bonds (distance) P-C4' energy: -114.166 flat angles C4'-P-C4' energy: -127.053 flat angles P-C4'-P energy: -92.540 tors. eta vs tors. theta energy: -180.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2102.576221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.576221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.576221 (E_RNA) where: Base-Base interactions energy: -1486.541 where: short stacking energy: -585.895 Base-Backbone interact. energy: -0.429 local terms energy: -615.606689 where: bonds (distance) C4'-P energy: -112.662 bonds (distance) P-C4' energy: -105.118 flat angles C4'-P-C4' energy: -134.939 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -182.243 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: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1952.104152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.104152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.104152 (E_RNA) where: Base-Base interactions energy: -1355.267 where: short stacking energy: -550.002 Base-Backbone interact. energy: 2.332 local terms energy: -599.168370 where: bonds (distance) C4'-P energy: -108.843 bonds (distance) P-C4' energy: -110.296 flat angles C4'-P-C4' energy: -127.366 flat angles P-C4'-P energy: -87.815 tors. eta vs tors. theta energy: -164.849 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: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1757.443992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.443992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.443992 (E_RNA) where: Base-Base interactions energy: -1195.278 where: short stacking energy: -508.764 Base-Backbone interact. energy: -2.058 local terms energy: -560.108013 where: bonds (distance) C4'-P energy: -102.334 bonds (distance) P-C4' energy: -101.641 flat angles C4'-P-C4' energy: -123.629 flat angles P-C4'-P energy: -88.975 tors. eta vs tors. theta energy: -143.529 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: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1591.384285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.384285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.384285 (E_RNA) where: Base-Base interactions energy: -1060.223 where: short stacking energy: -439.435 Base-Backbone interact. energy: 1.177 local terms energy: -532.338681 where: bonds (distance) C4'-P energy: -98.242 bonds (distance) P-C4' energy: -111.970 flat angles C4'-P-C4' energy: -116.617 flat angles P-C4'-P energy: -77.369 tors. eta vs tors. theta energy: -128.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1500.655763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.655763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.655763 (E_RNA) where: Base-Base interactions energy: -991.544 where: short stacking energy: -419.225 Base-Backbone interact. energy: -2.504 local terms energy: -506.607854 where: bonds (distance) C4'-P energy: -103.672 bonds (distance) P-C4' energy: -110.161 flat angles C4'-P-C4' energy: -120.866 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -105.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1275.644175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.644175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.644175 (E_RNA) where: Base-Base interactions energy: -823.494 where: short stacking energy: -363.590 Base-Backbone interact. energy: 3.030 local terms energy: -455.179956 where: bonds (distance) C4'-P energy: -104.948 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -105.318 flat angles P-C4'-P energy: -57.583 tors. eta vs tors. theta energy: -80.527 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: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -984.762144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.762144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.762144 (E_RNA) where: Base-Base interactions energy: -598.013 where: short stacking energy: -273.596 Base-Backbone interact. energy: 3.260 local terms energy: -390.009252 where: bonds (distance) C4'-P energy: -84.840 bonds (distance) P-C4' energy: -101.860 flat angles C4'-P-C4' energy: -115.127 flat angles P-C4'-P energy: -49.293 tors. eta vs tors. theta energy: -38.890 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: 8 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -2335.311870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.311870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.311870 (E_RNA) where: Base-Base interactions energy: -1631.172 where: short stacking energy: -661.589 Base-Backbone interact. energy: -0.707 local terms energy: -703.433637 where: bonds (distance) C4'-P energy: -119.830 bonds (distance) P-C4' energy: -121.174 flat angles C4'-P-C4' energy: -149.682 flat angles P-C4'-P energy: -104.141 tors. eta vs tors. theta energy: -208.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2214.136188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.136188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.136188 (E_RNA) where: Base-Base interactions energy: -1573.778 where: short stacking energy: -635.882 Base-Backbone interact. energy: -1.503 local terms energy: -638.854985 where: bonds (distance) C4'-P energy: -105.951 bonds (distance) P-C4' energy: -115.743 flat angles C4'-P-C4' energy: -137.952 flat angles P-C4'-P energy: -85.701 tors. eta vs tors. theta energy: -193.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2232.963644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.963644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.963644 (E_RNA) where: Base-Base interactions energy: -1601.228 where: short stacking energy: -635.271 Base-Backbone interact. energy: -5.781 local terms energy: -625.954433 where: bonds (distance) C4'-P energy: -113.693 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -134.530 flat angles P-C4'-P energy: -82.596 tors. eta vs tors. theta energy: -189.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2133.452189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.452189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.452189 (E_RNA) where: Base-Base interactions energy: -1507.172 where: short stacking energy: -609.624 Base-Backbone interact. energy: -1.420 local terms energy: -624.861159 where: bonds (distance) C4'-P energy: -115.680 bonds (distance) P-C4' energy: -110.422 flat angles C4'-P-C4' energy: -144.515 flat angles P-C4'-P energy: -86.190 tors. eta vs tors. theta energy: -168.055 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: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1964.829063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.829063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.829063 (E_RNA) where: Base-Base interactions energy: -1387.877 where: short stacking energy: -566.572 Base-Backbone interact. energy: 0.187 local terms energy: -577.139535 where: bonds (distance) C4'-P energy: -123.524 bonds (distance) P-C4' energy: -101.170 flat angles C4'-P-C4' energy: -115.388 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -159.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1795.068943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.068943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.068943 (E_RNA) where: Base-Base interactions energy: -1235.108 where: short stacking energy: -521.324 Base-Backbone interact. energy: -0.728 local terms energy: -559.233505 where: bonds (distance) C4'-P energy: -90.422 bonds (distance) P-C4' energy: -112.507 flat angles C4'-P-C4' energy: -130.899 flat angles P-C4'-P energy: -76.481 tors. eta vs tors. theta energy: -148.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1602.979180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.979180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.979180 (E_RNA) where: Base-Base interactions energy: -1065.264 where: short stacking energy: -477.038 Base-Backbone interact. energy: -0.093 local terms energy: -537.622417 where: bonds (distance) C4'-P energy: -98.354 bonds (distance) P-C4' energy: -103.082 flat angles C4'-P-C4' energy: -132.661 flat angles P-C4'-P energy: -84.478 tors. eta vs tors. theta energy: -119.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1451.604247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.604247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.604247 (E_RNA) where: Base-Base interactions energy: -961.820 where: short stacking energy: -402.135 Base-Backbone interact. energy: -0.579 local terms energy: -489.204979 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -95.842 flat angles C4'-P-C4' energy: -117.947 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -109.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1311.934766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.934766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.934766 (E_RNA) where: Base-Base interactions energy: -820.611 where: short stacking energy: -378.302 Base-Backbone interact. energy: 0.651 local terms energy: -491.974518 where: bonds (distance) C4'-P energy: -114.106 bonds (distance) P-C4' energy: -98.318 flat angles C4'-P-C4' energy: -120.606 flat angles P-C4'-P energy: -82.617 tors. eta vs tors. theta energy: -76.327 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: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1043.256810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.256810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.256810 (E_RNA) where: Base-Base interactions energy: -661.529 where: short stacking energy: -295.894 Base-Backbone interact. energy: 7.985 local terms energy: -389.712875 where: bonds (distance) C4'-P energy: -103.102 bonds (distance) P-C4' energy: -99.676 flat angles C4'-P-C4' energy: -81.222 flat angles P-C4'-P energy: -64.784 tors. eta vs tors. theta energy: -40.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -2336.938961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.938961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.938961 (E_RNA) where: Base-Base interactions energy: -1630.441 where: short stacking energy: -669.166 Base-Backbone interact. energy: -1.548 local terms energy: -704.950716 where: bonds (distance) C4'-P energy: -126.138 bonds (distance) P-C4' energy: -115.803 flat angles C4'-P-C4' energy: -151.739 flat angles P-C4'-P energy: -104.035 tors. eta vs tors. theta energy: -207.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2217.769592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.769592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.769592 (E_RNA) where: Base-Base interactions energy: -1540.664 where: short stacking energy: -634.087 Base-Backbone interact. energy: 0.075 local terms energy: -677.180739 where: bonds (distance) C4'-P energy: -124.430 bonds (distance) P-C4' energy: -117.909 flat angles C4'-P-C4' energy: -148.302 flat angles P-C4'-P energy: -91.815 tors. eta vs tors. theta energy: -194.724 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: 10 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2210.016073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.016073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.016073 (E_RNA) where: Base-Base interactions energy: -1572.076 where: short stacking energy: -624.192 Base-Backbone interact. energy: -3.585 local terms energy: -634.354762 where: bonds (distance) C4'-P energy: -105.559 bonds (distance) P-C4' energy: -109.413 flat angles C4'-P-C4' energy: -135.343 flat angles P-C4'-P energy: -93.609 tors. eta vs tors. theta energy: -190.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2117.750027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.750027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.750027 (E_RNA) where: Base-Base interactions energy: -1506.706 where: short stacking energy: -606.573 Base-Backbone interact. energy: -0.967 local terms energy: -610.076715 where: bonds (distance) C4'-P energy: -107.580 bonds (distance) P-C4' energy: -111.475 flat angles C4'-P-C4' energy: -123.841 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -174.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1966.124015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.124015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.124015 (E_RNA) where: Base-Base interactions energy: -1353.120 where: short stacking energy: -568.709 Base-Backbone interact. energy: -1.125 local terms energy: -611.879571 where: bonds (distance) C4'-P energy: -94.300 bonds (distance) P-C4' energy: -118.981 flat angles C4'-P-C4' energy: -137.750 flat angles P-C4'-P energy: -81.363 tors. eta vs tors. theta energy: -179.485 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: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1800.634287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.634287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.634287 (E_RNA) where: Base-Base interactions energy: -1244.124 where: short stacking energy: -505.014 Base-Backbone interact. energy: -2.933 local terms energy: -553.576916 where: bonds (distance) C4'-P energy: -85.008 bonds (distance) P-C4' energy: -107.483 flat angles C4'-P-C4' energy: -133.464 flat angles P-C4'-P energy: -83.403 tors. eta vs tors. theta energy: -144.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1605.529741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.529741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.529741 (E_RNA) where: Base-Base interactions energy: -1084.352 where: short stacking energy: -440.976 Base-Backbone interact. energy: -2.161 local terms energy: -519.016476 where: bonds (distance) C4'-P energy: -114.247 bonds (distance) P-C4' energy: -99.165 flat angles C4'-P-C4' energy: -118.424 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -113.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1516.270790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.270790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.270790 (E_RNA) where: Base-Base interactions energy: -1030.304 where: short stacking energy: -418.061 Base-Backbone interact. energy: -2.205 local terms energy: -483.761066 where: bonds (distance) C4'-P energy: -100.299 bonds (distance) P-C4' energy: -99.740 flat angles C4'-P-C4' energy: -100.288 flat angles P-C4'-P energy: -73.959 tors. eta vs tors. theta energy: -109.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1296.957339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.957339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.957339 (E_RNA) where: Base-Base interactions energy: -846.855 where: short stacking energy: -370.887 Base-Backbone interact. energy: -1.269 local terms energy: -448.833347 where: bonds (distance) C4'-P energy: -100.821 bonds (distance) P-C4' energy: -97.307 flat angles C4'-P-C4' energy: -102.829 flat angles P-C4'-P energy: -59.509 tors. eta vs tors. theta energy: -88.368 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: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -953.523087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.523087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.523087 (E_RNA) where: Base-Base interactions energy: -579.516 where: short stacking energy: -273.171 Base-Backbone interact. energy: -1.806 local terms energy: -372.201025 where: bonds (distance) C4'-P energy: -96.738 bonds (distance) P-C4' energy: -101.896 flat angles C4'-P-C4' energy: -81.115 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: -40.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -2352.190035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.190035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.190035 (E_RNA) where: Base-Base interactions energy: -1643.843 where: short stacking energy: -670.132 Base-Backbone interact. energy: -3.119 local terms energy: -705.228097 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -125.821 flat angles C4'-P-C4' energy: -143.446 flat angles P-C4'-P energy: -94.598 tors. eta vs tors. theta energy: -213.622 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: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2239.502574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.502574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.502574 (E_RNA) where: Base-Base interactions energy: -1562.307 where: short stacking energy: -635.194 Base-Backbone interact. energy: -3.062 local terms energy: -674.133164 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -126.962 flat angles C4'-P-C4' energy: -141.161 flat angles P-C4'-P energy: -106.764 tors. eta vs tors. theta energy: -194.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2189.348493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.348493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.348493 (E_RNA) where: Base-Base interactions energy: -1527.719 where: short stacking energy: -614.327 Base-Backbone interact. energy: -1.147 local terms energy: -660.482584 where: bonds (distance) C4'-P energy: -118.648 bonds (distance) P-C4' energy: -117.724 flat angles C4'-P-C4' energy: -141.428 flat angles P-C4'-P energy: -92.505 tors. eta vs tors. theta energy: -190.178 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: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2120.691728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.691728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.691728 (E_RNA) where: Base-Base interactions energy: -1532.630 where: short stacking energy: -627.240 Base-Backbone interact. energy: 0.371 local terms energy: -588.432884 where: bonds (distance) C4'-P energy: -85.376 bonds (distance) P-C4' energy: -108.850 flat angles C4'-P-C4' energy: -125.103 flat angles P-C4'-P energy: -88.933 tors. eta vs tors. theta energy: -180.171 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: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1971.861135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.861135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.861135 (E_RNA) where: Base-Base interactions energy: -1386.728 where: short stacking energy: -571.046 Base-Backbone interact. energy: -1.142 local terms energy: -583.990603 where: bonds (distance) C4'-P energy: -109.967 bonds (distance) P-C4' energy: -103.944 flat angles C4'-P-C4' energy: -129.469 flat angles P-C4'-P energy: -68.525 tors. eta vs tors. theta energy: -172.086 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: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1796.102660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.102660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.102660 (E_RNA) where: Base-Base interactions energy: -1214.950 where: short stacking energy: -510.455 Base-Backbone interact. energy: 0.615 local terms energy: -581.767305 where: bonds (distance) C4'-P energy: -111.994 bonds (distance) P-C4' energy: -118.380 flat angles C4'-P-C4' energy: -130.093 flat angles P-C4'-P energy: -80.709 tors. eta vs tors. theta energy: -140.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1659.730104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.730104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.730104 (E_RNA) where: Base-Base interactions energy: -1118.446 where: short stacking energy: -475.007 Base-Backbone interact. energy: -0.067 local terms energy: -541.217508 where: bonds (distance) C4'-P energy: -117.472 bonds (distance) P-C4' energy: -101.290 flat angles C4'-P-C4' energy: -104.449 flat angles P-C4'-P energy: -74.394 tors. eta vs tors. theta energy: -143.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1557.403835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.403835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.403835 (E_RNA) where: Base-Base interactions energy: -1065.563 where: short stacking energy: -434.973 Base-Backbone interact. energy: -2.023 local terms energy: -489.818001 where: bonds (distance) C4'-P energy: -82.185 bonds (distance) P-C4' energy: -90.728 flat angles C4'-P-C4' energy: -117.021 flat angles P-C4'-P energy: -86.184 tors. eta vs tors. theta energy: -113.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1278.992442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.992442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.992442 (E_RNA) where: Base-Base interactions energy: -861.658 where: short stacking energy: -361.266 Base-Backbone interact. energy: 12.113 local terms energy: -429.446901 where: bonds (distance) C4'-P energy: -91.061 bonds (distance) P-C4' energy: -85.848 flat angles C4'-P-C4' energy: -110.758 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: -81.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -844.566053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.566053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.566053 (E_RNA) where: Base-Base interactions energy: -481.230 where: short stacking energy: -237.477 Base-Backbone interact. energy: -1.528 local terms energy: -361.807396 where: bonds (distance) C4'-P energy: -105.456 bonds (distance) P-C4' energy: -92.462 flat angles C4'-P-C4' energy: -81.468 flat angles P-C4'-P energy: -49.197 tors. eta vs tors. theta energy: -33.225 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: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -2354.142546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.142546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.142546 (E_RNA) where: Base-Base interactions energy: -1646.460 where: short stacking energy: -689.672 Base-Backbone interact. energy: -1.606 local terms energy: -706.076873 where: bonds (distance) C4'-P energy: -121.741 bonds (distance) P-C4' energy: -117.581 flat angles C4'-P-C4' energy: -150.879 flat angles P-C4'-P energy: -107.372 tors. eta vs tors. theta energy: -208.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2234.769096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.769096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.769096 (E_RNA) where: Base-Base interactions energy: -1577.427 where: short stacking energy: -638.943 Base-Backbone interact. energy: -2.163 local terms energy: -655.179180 where: bonds (distance) C4'-P energy: -112.453 bonds (distance) P-C4' energy: -121.821 flat angles C4'-P-C4' energy: -138.371 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -189.789 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: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2222.785309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.785309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.785309 (E_RNA) where: Base-Base interactions energy: -1581.486 where: short stacking energy: -609.434 Base-Backbone interact. energy: -2.098 local terms energy: -639.201494 where: bonds (distance) C4'-P energy: -118.243 bonds (distance) P-C4' energy: -105.145 flat angles C4'-P-C4' energy: -138.038 flat angles P-C4'-P energy: -92.809 tors. eta vs tors. theta energy: -184.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2133.396974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.396974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.396974 (E_RNA) where: Base-Base interactions energy: -1486.311 where: short stacking energy: -605.020 Base-Backbone interact. energy: 0.251 local terms energy: -647.337301 where: bonds (distance) C4'-P energy: -108.980 bonds (distance) P-C4' energy: -124.759 flat angles C4'-P-C4' energy: -144.712 flat angles P-C4'-P energy: -86.883 tors. eta vs tors. theta energy: -182.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2016.484184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.484184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.484184 (E_RNA) where: Base-Base interactions energy: -1391.359 where: short stacking energy: -574.697 Base-Backbone interact. energy: 1.204 local terms energy: -626.328611 where: bonds (distance) C4'-P energy: -101.293 bonds (distance) P-C4' energy: -114.708 flat angles C4'-P-C4' energy: -142.475 flat angles P-C4'-P energy: -86.652 tors. eta vs tors. theta energy: -181.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1800.551850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.551850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.551850 (E_RNA) where: Base-Base interactions energy: -1235.113 where: short stacking energy: -486.807 Base-Backbone interact. energy: 0.668 local terms energy: -566.106852 where: bonds (distance) C4'-P energy: -97.290 bonds (distance) P-C4' energy: -121.071 flat angles C4'-P-C4' energy: -130.494 flat angles P-C4'-P energy: -85.483 tors. eta vs tors. theta energy: -131.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1591.073809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.073809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.073809 (E_RNA) where: Base-Base interactions energy: -1083.773 where: short stacking energy: -483.860 Base-Backbone interact. energy: -0.361 local terms energy: -506.939801 where: bonds (distance) C4'-P energy: -98.858 bonds (distance) P-C4' energy: -101.940 flat angles C4'-P-C4' energy: -111.972 flat angles P-C4'-P energy: -68.009 tors. eta vs tors. theta energy: -126.161 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: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1557.406436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.406436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.406436 (E_RNA) where: Base-Base interactions energy: -1065.013 where: short stacking energy: -441.729 Base-Backbone interact. energy: 0.283 local terms energy: -492.675969 where: bonds (distance) C4'-P energy: -89.151 bonds (distance) P-C4' energy: -95.313 flat angles C4'-P-C4' energy: -106.364 flat angles P-C4'-P energy: -75.108 tors. eta vs tors. theta energy: -126.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1334.668116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.668116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.668116 (E_RNA) where: Base-Base interactions energy: -868.040 where: short stacking energy: -369.152 Base-Backbone interact. energy: -1.225 local terms energy: -465.402299 where: bonds (distance) C4'-P energy: -109.252 bonds (distance) P-C4' energy: -94.905 flat angles C4'-P-C4' energy: -104.739 flat angles P-C4'-P energy: -63.375 tors. eta vs tors. theta energy: -93.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -903.705747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.705747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.705747 (E_RNA) where: Base-Base interactions energy: -503.954 where: short stacking energy: -241.964 Base-Backbone interact. energy: 0.304 local terms energy: -400.056115 where: bonds (distance) C4'-P energy: -101.514 bonds (distance) P-C4' energy: -118.126 flat angles C4'-P-C4' energy: -79.349 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -39.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -2331.222147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.222147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.222147 (E_RNA) where: Base-Base interactions energy: -1625.106 where: short stacking energy: -666.686 Base-Backbone interact. energy: -3.851 local terms energy: -702.265622 where: bonds (distance) C4'-P energy: -115.576 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -148.871 flat angles P-C4'-P energy: -109.863 tors. eta vs tors. theta energy: -214.579 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: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2223.499059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.499059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.499059 (E_RNA) where: Base-Base interactions energy: -1562.350 where: short stacking energy: -646.771 Base-Backbone interact. energy: -1.524 local terms energy: -659.625000 where: bonds (distance) C4'-P energy: -110.130 bonds (distance) P-C4' energy: -120.609 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -92.877 tors. eta vs tors. theta energy: -189.811 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: 3, replica: 10 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2198.737372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.737372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.737372 (E_RNA) where: Base-Base interactions energy: -1541.365 where: short stacking energy: -596.240 Base-Backbone interact. energy: -3.257 local terms energy: -654.114761 where: bonds (distance) C4'-P energy: -106.959 bonds (distance) P-C4' energy: -129.311 flat angles C4'-P-C4' energy: -136.673 flat angles P-C4'-P energy: -96.911 tors. eta vs tors. theta energy: -184.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2121.936115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.936115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.936115 (E_RNA) where: Base-Base interactions energy: -1476.606 where: short stacking energy: -604.917 Base-Backbone interact. energy: -2.343 local terms energy: -642.987210 where: bonds (distance) C4'-P energy: -123.464 bonds (distance) P-C4' energy: -106.874 flat angles C4'-P-C4' energy: -137.617 flat angles P-C4'-P energy: -92.366 tors. eta vs tors. theta energy: -182.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1959.261096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.261096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.261096 (E_RNA) where: Base-Base interactions energy: -1366.110 where: short stacking energy: -576.455 Base-Backbone interact. energy: 0.706 local terms energy: -593.856949 where: bonds (distance) C4'-P energy: -102.518 bonds (distance) P-C4' energy: -93.277 flat angles C4'-P-C4' energy: -139.759 flat angles P-C4'-P energy: -86.861 tors. eta vs tors. theta energy: -171.442 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: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1764.377074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.377074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.377074 (E_RNA) where: Base-Base interactions energy: -1212.479 where: short stacking energy: -491.004 Base-Backbone interact. energy: -2.514 local terms energy: -549.384063 where: bonds (distance) C4'-P energy: -103.810 bonds (distance) P-C4' energy: -122.710 flat angles C4'-P-C4' energy: -117.930 flat angles P-C4'-P energy: -75.546 tors. eta vs tors. theta energy: -129.387 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: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1593.158909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.158909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.158909 (E_RNA) where: Base-Base interactions energy: -1095.426 where: short stacking energy: -467.480 Base-Backbone interact. energy: -1.448 local terms energy: -496.284172 where: bonds (distance) C4'-P energy: -105.857 bonds (distance) P-C4' energy: -82.196 flat angles C4'-P-C4' energy: -110.240 flat angles P-C4'-P energy: -70.597 tors. eta vs tors. theta energy: -127.394 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1525.989042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.989042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.989042 (E_RNA) where: Base-Base interactions energy: -1006.447 where: short stacking energy: -428.003 Base-Backbone interact. energy: 1.070 local terms energy: -520.611754 where: bonds (distance) C4'-P energy: -109.963 bonds (distance) P-C4' energy: -98.836 flat angles C4'-P-C4' energy: -119.035 flat angles P-C4'-P energy: -81.813 tors. eta vs tors. theta energy: -110.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1279.846485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.846485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.846485 (E_RNA) where: Base-Base interactions energy: -816.803 where: short stacking energy: -365.061 Base-Backbone interact. energy: 2.454 local terms energy: -465.497175 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -110.610 flat angles C4'-P-C4' energy: -101.817 flat angles P-C4'-P energy: -74.190 tors. eta vs tors. theta energy: -85.379 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: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -846.532270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.532270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.532270 (E_RNA) where: Base-Base interactions energy: -446.629 where: short stacking energy: -212.311 Base-Backbone interact. energy: 1.721 local terms energy: -401.624189 where: bonds (distance) C4'-P energy: -105.119 bonds (distance) P-C4' energy: -103.117 flat angles C4'-P-C4' energy: -89.885 flat angles P-C4'-P energy: -80.684 tors. eta vs tors. theta energy: -22.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -2373.973240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.973240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.973240 (E_RNA) where: Base-Base interactions energy: -1649.107 where: short stacking energy: -672.161 Base-Backbone interact. energy: -0.562 local terms energy: -724.303708 where: bonds (distance) C4'-P energy: -129.795 bonds (distance) P-C4' energy: -130.355 flat angles C4'-P-C4' energy: -149.164 flat angles P-C4'-P energy: -104.377 tors. eta vs tors. theta energy: -210.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2233.531291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.531291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.531291 (E_RNA) where: Base-Base interactions energy: -1556.209 where: short stacking energy: -644.104 Base-Backbone interact. energy: -0.452 local terms energy: -676.869593 where: bonds (distance) C4'-P energy: -112.210 bonds (distance) P-C4' energy: -129.027 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -95.748 tors. eta vs tors. theta energy: -199.396 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: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2236.527504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.527504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.527504 (E_RNA) where: Base-Base interactions energy: -1577.633 where: short stacking energy: -641.645 Base-Backbone interact. energy: -2.353 local terms energy: -656.540953 where: bonds (distance) C4'-P energy: -112.504 bonds (distance) P-C4' energy: -116.941 flat angles C4'-P-C4' energy: -143.737 flat angles P-C4'-P energy: -90.801 tors. eta vs tors. theta energy: -192.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2114.277306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.277306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.277306 (E_RNA) where: Base-Base interactions energy: -1486.067 where: short stacking energy: -602.970 Base-Backbone interact. energy: -0.752 local terms energy: -627.457874 where: bonds (distance) C4'-P energy: -109.847 bonds (distance) P-C4' energy: -117.030 flat angles C4'-P-C4' energy: -122.266 flat angles P-C4'-P energy: -99.572 tors. eta vs tors. theta energy: -178.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2015.440529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.440529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.440529 (E_RNA) where: Base-Base interactions energy: -1390.043 where: short stacking energy: -565.180 Base-Backbone interact. energy: -0.849 local terms energy: -624.548055 where: bonds (distance) C4'-P energy: -110.240 bonds (distance) P-C4' energy: -132.953 flat angles C4'-P-C4' energy: -127.401 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -173.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1818.954223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.954223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.954223 (E_RNA) where: Base-Base interactions energy: -1235.545 where: short stacking energy: -500.055 Base-Backbone interact. energy: -1.005 local terms energy: -582.404173 where: bonds (distance) C4'-P energy: -108.612 bonds (distance) P-C4' energy: -116.852 flat angles C4'-P-C4' energy: -125.055 flat angles P-C4'-P energy: -97.111 tors. eta vs tors. theta energy: -134.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1579.791476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.791476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.791476 (E_RNA) where: Base-Base interactions energy: -1057.895 where: short stacking energy: -455.150 Base-Backbone interact. energy: 1.339 local terms energy: -523.235615 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -110.471 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -117.821 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: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1495.054975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.054975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.054975 (E_RNA) where: Base-Base interactions energy: -983.683 where: short stacking energy: -435.999 Base-Backbone interact. energy: 0.277 local terms energy: -511.648214 where: bonds (distance) C4'-P energy: -103.905 bonds (distance) P-C4' energy: -116.715 flat angles C4'-P-C4' energy: -116.226 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -114.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1285.902095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.902095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.902095 (E_RNA) where: Base-Base interactions energy: -843.399 where: short stacking energy: -352.875 Base-Backbone interact. energy: -0.066 local terms energy: -442.437293 where: bonds (distance) C4'-P energy: -92.047 bonds (distance) P-C4' energy: -105.875 flat angles C4'-P-C4' energy: -106.167 flat angles P-C4'-P energy: -62.221 tors. eta vs tors. theta energy: -76.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -860.018966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.018966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.018966 (E_RNA) where: Base-Base interactions energy: -480.977 where: short stacking energy: -240.722 Base-Backbone interact. energy: 0.957 local terms energy: -379.998192 where: bonds (distance) C4'-P energy: -91.813 bonds (distance) P-C4' energy: -101.800 flat angles C4'-P-C4' energy: -99.962 flat angles P-C4'-P energy: -59.560 tors. eta vs tors. theta energy: -26.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -2368.821473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.821473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.821473 (E_RNA) where: Base-Base interactions energy: -1671.181 where: short stacking energy: -672.612 Base-Backbone interact. energy: -1.375 local terms energy: -696.265698 where: bonds (distance) C4'-P energy: -118.265 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -101.773 tors. eta vs tors. theta energy: -209.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2250.626715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.626715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.626715 (E_RNA) where: Base-Base interactions energy: -1548.772 where: short stacking energy: -617.283 Base-Backbone interact. energy: -2.354 local terms energy: -699.500666 where: bonds (distance) C4'-P energy: -116.752 bonds (distance) P-C4' energy: -128.467 flat angles C4'-P-C4' energy: -147.815 flat angles P-C4'-P energy: -106.224 tors. eta vs tors. theta energy: -200.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2191.674601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.674601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.674601 (E_RNA) where: Base-Base interactions energy: -1535.591 where: short stacking energy: -605.332 Base-Backbone interact. energy: -4.287 local terms energy: -651.796247 where: bonds (distance) C4'-P energy: -110.955 bonds (distance) P-C4' energy: -115.069 flat angles C4'-P-C4' energy: -136.538 flat angles P-C4'-P energy: -102.216 tors. eta vs tors. theta energy: -187.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2123.459692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.459692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.459692 (E_RNA) where: Base-Base interactions energy: -1492.817 where: short stacking energy: -606.532 Base-Backbone interact. energy: -1.288 local terms energy: -629.355080 where: bonds (distance) C4'-P energy: -115.573 bonds (distance) P-C4' energy: -117.754 flat angles C4'-P-C4' energy: -131.756 flat angles P-C4'-P energy: -91.788 tors. eta vs tors. theta energy: -172.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1984.465015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.465015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.465015 (E_RNA) where: Base-Base interactions energy: -1364.415 where: short stacking energy: -568.312 Base-Backbone interact. energy: 2.575 local terms energy: -622.625080 where: bonds (distance) C4'-P energy: -116.994 bonds (distance) P-C4' energy: -116.659 flat angles C4'-P-C4' energy: -127.287 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: -179.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1786.081594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.081594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.081594 (E_RNA) where: Base-Base interactions energy: -1231.509 where: short stacking energy: -512.164 Base-Backbone interact. energy: 0.477 local terms energy: -555.049348 where: bonds (distance) C4'-P energy: -111.134 bonds (distance) P-C4' energy: -102.691 flat angles C4'-P-C4' energy: -126.140 flat angles P-C4'-P energy: -71.833 tors. eta vs tors. theta energy: -143.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1514.524114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.524114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.524114 (E_RNA) where: Base-Base interactions energy: -1003.573 where: short stacking energy: -436.961 Base-Backbone interact. energy: 0.089 local terms energy: -511.040784 where: bonds (distance) C4'-P energy: -105.596 bonds (distance) P-C4' energy: -114.896 flat angles C4'-P-C4' energy: -113.703 flat angles P-C4'-P energy: -64.059 tors. eta vs tors. theta energy: -112.787 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: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1573.690310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.690310 (E_RNA) where: Base-Base interactions energy: -1030.241 where: short stacking energy: -442.963 Base-Backbone interact. energy: 2.147 local terms energy: -545.596700 where: bonds (distance) C4'-P energy: -102.914 bonds (distance) P-C4' energy: -119.606 flat angles C4'-P-C4' energy: -127.486 flat angles P-C4'-P energy: -78.580 tors. eta vs tors. theta energy: -117.011 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: 7 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1310.739428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.739428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.739428 (E_RNA) where: Base-Base interactions energy: -892.158 where: short stacking energy: -372.708 Base-Backbone interact. energy: -0.600 local terms energy: -417.981932 where: bonds (distance) C4'-P energy: -97.624 bonds (distance) P-C4' energy: -108.261 flat angles C4'-P-C4' energy: -83.159 flat angles P-C4'-P energy: -56.252 tors. eta vs tors. theta energy: -72.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -892.385475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.385475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.385475 (E_RNA) where: Base-Base interactions energy: -517.961 where: short stacking energy: -250.914 Base-Backbone interact. energy: 9.007 local terms energy: -383.432209 where: bonds (distance) C4'-P energy: -96.218 bonds (distance) P-C4' energy: -113.020 flat angles C4'-P-C4' energy: -105.160 flat angles P-C4'-P energy: -44.329 tors. eta vs tors. theta energy: -24.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -2358.504416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.504416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.504416 (E_RNA) where: Base-Base interactions energy: -1644.796 where: short stacking energy: -655.002 Base-Backbone interact. energy: -1.877 local terms energy: -711.832055 where: bonds (distance) C4'-P energy: -138.716 bonds (distance) P-C4' energy: -119.987 flat angles C4'-P-C4' energy: -146.941 flat angles P-C4'-P energy: -109.323 tors. eta vs tors. theta energy: -196.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2237.505001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.505001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.505001 (E_RNA) where: Base-Base interactions energy: -1543.347 where: short stacking energy: -627.137 Base-Backbone interact. energy: -3.083 local terms energy: -691.074639 where: bonds (distance) C4'-P energy: -114.867 bonds (distance) P-C4' energy: -135.502 flat angles C4'-P-C4' energy: -141.954 flat angles P-C4'-P energy: -94.509 tors. eta vs tors. theta energy: -204.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2204.241167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.241167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.241167 (E_RNA) where: Base-Base interactions energy: -1561.379 where: short stacking energy: -625.031 Base-Backbone interact. energy: -2.669 local terms energy: -640.192635 where: bonds (distance) C4'-P energy: -111.525 bonds (distance) P-C4' energy: -118.534 flat angles C4'-P-C4' energy: -141.640 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: -200.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2132.827478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.827478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.827478 (E_RNA) where: Base-Base interactions energy: -1521.368 where: short stacking energy: -616.986 Base-Backbone interact. energy: -2.758 local terms energy: -608.701910 where: bonds (distance) C4'-P energy: -100.213 bonds (distance) P-C4' energy: -110.098 flat angles C4'-P-C4' energy: -133.516 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -173.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1999.219724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.219724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.219724 (E_RNA) where: Base-Base interactions energy: -1399.816 where: short stacking energy: -538.401 Base-Backbone interact. energy: -0.850 local terms energy: -598.553587 where: bonds (distance) C4'-P energy: -114.057 bonds (distance) P-C4' energy: -106.804 flat angles C4'-P-C4' energy: -135.442 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -156.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1787.551224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.551224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.551224 (E_RNA) where: Base-Base interactions energy: -1218.133 where: short stacking energy: -489.352 Base-Backbone interact. energy: 0.234 local terms energy: -569.652300 where: bonds (distance) C4'-P energy: -105.474 bonds (distance) P-C4' energy: -104.591 flat angles C4'-P-C4' energy: -121.516 flat angles P-C4'-P energy: -91.402 tors. eta vs tors. theta energy: -146.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1520.571639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.571639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.571639 (E_RNA) where: Base-Base interactions energy: -1013.043 where: short stacking energy: -443.076 Base-Backbone interact. energy: 1.845 local terms energy: -509.373823 where: bonds (distance) C4'-P energy: -105.498 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -111.676 flat angles P-C4'-P energy: -71.318 tors. eta vs tors. theta energy: -109.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1545.846156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.846156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.846156 (E_RNA) where: Base-Base interactions energy: -1033.262 where: short stacking energy: -440.884 Base-Backbone interact. energy: 1.197 local terms energy: -513.781505 where: bonds (distance) C4'-P energy: -111.270 bonds (distance) P-C4' energy: -108.399 flat angles C4'-P-C4' energy: -107.995 flat angles P-C4'-P energy: -72.730 tors. eta vs tors. theta energy: -113.388 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: 9, replica: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1301.146835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.146835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.146835 (E_RNA) where: Base-Base interactions energy: -818.974 where: short stacking energy: -346.185 Base-Backbone interact. energy: 0.618 local terms energy: -482.791011 where: bonds (distance) C4'-P energy: -117.961 bonds (distance) P-C4' energy: -111.785 flat angles C4'-P-C4' energy: -105.195 flat angles P-C4'-P energy: -70.975 tors. eta vs tors. theta energy: -76.874 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: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -853.892972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.892972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.892972 (E_RNA) where: Base-Base interactions energy: -505.706 where: short stacking energy: -235.075 Base-Backbone interact. energy: -1.761 local terms energy: -346.425711 where: bonds (distance) C4'-P energy: -83.483 bonds (distance) P-C4' energy: -111.008 flat angles C4'-P-C4' energy: -86.172 flat angles P-C4'-P energy: -48.861 tors. eta vs tors. theta energy: -16.901 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: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -2355.031546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.031546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.031546 (E_RNA) where: Base-Base interactions energy: -1661.785 where: short stacking energy: -667.418 Base-Backbone interact. energy: -0.375 local terms energy: -692.872112 where: bonds (distance) C4'-P energy: -123.012 bonds (distance) P-C4' energy: -121.308 flat angles C4'-P-C4' energy: -139.465 flat angles P-C4'-P energy: -100.366 tors. eta vs tors. theta energy: -208.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2273.031277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.031277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.031277 (E_RNA) where: Base-Base interactions energy: -1601.220 where: short stacking energy: -639.302 Base-Backbone interact. energy: -1.652 local terms energy: -670.159564 where: bonds (distance) C4'-P energy: -116.530 bonds (distance) P-C4' energy: -119.141 flat angles C4'-P-C4' energy: -143.492 flat angles P-C4'-P energy: -96.297 tors. eta vs tors. theta energy: -194.700 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: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2239.757260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.757260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.757260 (E_RNA) where: Base-Base interactions energy: -1572.863 where: short stacking energy: -640.665 Base-Backbone interact. energy: -1.515 local terms energy: -665.379110 where: bonds (distance) C4'-P energy: -119.754 bonds (distance) P-C4' energy: -113.525 flat angles C4'-P-C4' energy: -135.447 flat angles P-C4'-P energy: -100.588 tors. eta vs tors. theta energy: -196.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2129.831225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.831225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.831225 (E_RNA) where: Base-Base interactions energy: -1513.581 where: short stacking energy: -585.192 Base-Backbone interact. energy: -2.245 local terms energy: -614.005736 where: bonds (distance) C4'-P energy: -114.367 bonds (distance) P-C4' energy: -109.830 flat angles C4'-P-C4' energy: -139.495 flat angles P-C4'-P energy: -75.949 tors. eta vs tors. theta energy: -174.366 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: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1946.985039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.985039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.985039 (E_RNA) where: Base-Base interactions energy: -1360.000 where: short stacking energy: -558.139 Base-Backbone interact. energy: -1.612 local terms energy: -585.373201 where: bonds (distance) C4'-P energy: -114.282 bonds (distance) P-C4' energy: -117.964 flat angles C4'-P-C4' energy: -120.572 flat angles P-C4'-P energy: -66.940 tors. eta vs tors. theta energy: -165.615 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: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1783.300277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.300277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.300277 (E_RNA) where: Base-Base interactions energy: -1227.064 where: short stacking energy: -495.770 Base-Backbone interact. energy: -1.712 local terms energy: -554.524519 where: bonds (distance) C4'-P energy: -94.102 bonds (distance) P-C4' energy: -110.843 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -141.834 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: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1488.683594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.683594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.683594 (E_RNA) where: Base-Base interactions energy: -982.730 where: short stacking energy: -431.796 Base-Backbone interact. energy: 3.824 local terms energy: -509.777036 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -109.072 flat angles C4'-P-C4' energy: -124.922 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -114.283 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: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1566.965895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.965895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.965895 (E_RNA) where: Base-Base interactions energy: -1038.369 where: short stacking energy: -455.979 Base-Backbone interact. energy: -1.151 local terms energy: -527.446117 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -118.723 flat angles C4'-P-C4' energy: -104.058 flat angles P-C4'-P energy: -83.566 tors. eta vs tors. theta energy: -123.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1266.552839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.552839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.552839 (E_RNA) where: Base-Base interactions energy: -807.624 where: short stacking energy: -331.325 Base-Backbone interact. energy: -1.892 local terms energy: -457.036427 where: bonds (distance) C4'-P energy: -100.451 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -103.028 flat angles P-C4'-P energy: -79.624 tors. eta vs tors. theta energy: -63.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -862.979601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.979601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.979601 (E_RNA) where: Base-Base interactions energy: -476.992 where: short stacking energy: -237.689 Base-Backbone interact. energy: 8.902 local terms energy: -394.889543 where: bonds (distance) C4'-P energy: -106.752 bonds (distance) P-C4' energy: -108.160 flat angles C4'-P-C4' energy: -103.545 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -21.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -2345.078566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.078566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.078566 (E_RNA) where: Base-Base interactions energy: -1633.213 where: short stacking energy: -654.857 Base-Backbone interact. energy: 4.546 local terms energy: -716.411524 where: bonds (distance) C4'-P energy: -125.412 bonds (distance) P-C4' energy: -124.057 flat angles C4'-P-C4' energy: -153.287 flat angles P-C4'-P energy: -104.519 tors. eta vs tors. theta energy: -209.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2226.976177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.976177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.976177 (E_RNA) where: Base-Base interactions energy: -1554.585 where: short stacking energy: -628.118 Base-Backbone interact. energy: -0.538 local terms energy: -671.853297 where: bonds (distance) C4'-P energy: -126.399 bonds (distance) P-C4' energy: -133.303 flat angles C4'-P-C4' energy: -138.280 flat angles P-C4'-P energy: -87.384 tors. eta vs tors. theta energy: -186.488 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2204.476808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.476808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.476808 (E_RNA) where: Base-Base interactions energy: -1546.010 where: short stacking energy: -635.613 Base-Backbone interact. energy: 2.846 local terms energy: -661.312682 where: bonds (distance) C4'-P energy: -123.369 bonds (distance) P-C4' energy: -109.787 flat angles C4'-P-C4' energy: -143.630 flat angles P-C4'-P energy: -84.928 tors. eta vs tors. theta energy: -199.599 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: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2107.388719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.388719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.388719 (E_RNA) where: Base-Base interactions energy: -1469.967 where: short stacking energy: -619.901 Base-Backbone interact. energy: -1.827 local terms energy: -635.595185 where: bonds (distance) C4'-P energy: -110.388 bonds (distance) P-C4' energy: -111.297 flat angles C4'-P-C4' energy: -136.814 flat angles P-C4'-P energy: -94.601 tors. eta vs tors. theta energy: -182.496 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: 5, replica: 5 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1945.835759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.835759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.835759 (E_RNA) where: Base-Base interactions energy: -1364.883 where: short stacking energy: -557.104 Base-Backbone interact. energy: 0.701 local terms energy: -581.653724 where: bonds (distance) C4'-P energy: -101.976 bonds (distance) P-C4' energy: -111.098 flat angles C4'-P-C4' energy: -115.069 flat angles P-C4'-P energy: -84.469 tors. eta vs tors. theta energy: -169.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1791.760323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.760323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.760323 (E_RNA) where: Base-Base interactions energy: -1204.028 where: short stacking energy: -503.031 Base-Backbone interact. energy: -1.340 local terms energy: -586.392478 where: bonds (distance) C4'-P energy: -109.678 bonds (distance) P-C4' energy: -115.993 flat angles C4'-P-C4' energy: -131.038 flat angles P-C4'-P energy: -93.961 tors. eta vs tors. theta energy: -135.722 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: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1486.766081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.766081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.766081 (E_RNA) where: Base-Base interactions energy: -967.871 where: short stacking energy: -435.698 Base-Backbone interact. energy: -1.012 local terms energy: -517.883605 where: bonds (distance) C4'-P energy: -108.415 bonds (distance) P-C4' energy: -104.826 flat angles C4'-P-C4' energy: -124.845 flat angles P-C4'-P energy: -62.325 tors. eta vs tors. theta energy: -117.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1554.792952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.792952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.792952 (E_RNA) where: Base-Base interactions energy: -1031.499 where: short stacking energy: -437.323 Base-Backbone interact. energy: -2.746 local terms energy: -520.548813 where: bonds (distance) C4'-P energy: -102.050 bonds (distance) P-C4' energy: -104.748 flat angles C4'-P-C4' energy: -121.490 flat angles P-C4'-P energy: -67.366 tors. eta vs tors. theta energy: -124.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1323.611060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.611060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.611060 (E_RNA) where: Base-Base interactions energy: -875.807 where: short stacking energy: -382.006 Base-Backbone interact. energy: 7.285 local terms energy: -455.089383 where: bonds (distance) C4'-P energy: -94.037 bonds (distance) P-C4' energy: -105.567 flat angles C4'-P-C4' energy: -107.737 flat angles P-C4'-P energy: -59.086 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: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -826.310696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.310696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.310696 (E_RNA) where: Base-Base interactions energy: -475.292 where: short stacking energy: -214.914 Base-Backbone interact. energy: -2.288 local terms energy: -348.730743 where: bonds (distance) C4'-P energy: -109.563 bonds (distance) P-C4' energy: -95.312 flat angles C4'-P-C4' energy: -86.029 flat angles P-C4'-P energy: -53.402 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -2372.977264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.977264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.977264 (E_RNA) where: Base-Base interactions energy: -1667.366 where: short stacking energy: -678.636 Base-Backbone interact. energy: -0.597 local terms energy: -705.014489 where: bonds (distance) C4'-P energy: -124.895 bonds (distance) P-C4' energy: -128.656 flat angles C4'-P-C4' energy: -143.541 flat angles P-C4'-P energy: -98.877 tors. eta vs tors. theta energy: -209.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2249.957363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.957363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.957363 (E_RNA) where: Base-Base interactions energy: -1572.769 where: short stacking energy: -649.329 Base-Backbone interact. energy: -1.518 local terms energy: -675.670734 where: bonds (distance) C4'-P energy: -106.578 bonds (distance) P-C4' energy: -128.462 flat angles C4'-P-C4' energy: -142.660 flat angles P-C4'-P energy: -103.029 tors. eta vs tors. theta energy: -194.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2202.213051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.213051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.213051 (E_RNA) where: Base-Base interactions energy: -1551.531 where: short stacking energy: -616.365 Base-Backbone interact. energy: -6.173 local terms energy: -644.508722 where: bonds (distance) C4'-P energy: -113.336 bonds (distance) P-C4' energy: -104.812 flat angles C4'-P-C4' energy: -136.811 flat angles P-C4'-P energy: -97.747 tors. eta vs tors. theta energy: -191.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2135.359737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.359737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.359737 (E_RNA) where: Base-Base interactions energy: -1535.076 where: short stacking energy: -625.196 Base-Backbone interact. energy: -0.888 local terms energy: -599.395802 where: bonds (distance) C4'-P energy: -94.863 bonds (distance) P-C4' energy: -106.788 flat angles C4'-P-C4' energy: -138.074 flat angles P-C4'-P energy: -85.200 tors. eta vs tors. theta energy: -174.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1973.355628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.355628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.355628 (E_RNA) where: Base-Base interactions energy: -1385.382 where: short stacking energy: -562.371 Base-Backbone interact. energy: -1.065 local terms energy: -586.908797 where: bonds (distance) C4'-P energy: -102.219 bonds (distance) P-C4' energy: -121.599 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -71.781 tors. eta vs tors. theta energy: -160.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1771.085001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.085001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.085001 (E_RNA) where: Base-Base interactions energy: -1249.926 where: short stacking energy: -521.384 Base-Backbone interact. energy: 3.224 local terms energy: -524.383045 where: bonds (distance) C4'-P energy: -94.770 bonds (distance) P-C4' energy: -93.382 flat angles C4'-P-C4' energy: -110.975 flat angles P-C4'-P energy: -85.639 tors. eta vs tors. theta energy: -139.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1604.713630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.713630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.713630 (E_RNA) where: Base-Base interactions energy: -1056.400 where: short stacking energy: -448.114 Base-Backbone interact. energy: 4.740 local terms energy: -553.053436 where: bonds (distance) C4'-P energy: -93.742 bonds (distance) P-C4' energy: -117.931 flat angles C4'-P-C4' energy: -122.136 flat angles P-C4'-P energy: -87.511 tors. eta vs tors. theta energy: -131.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1424.159972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.159972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.159972 (E_RNA) where: Base-Base interactions energy: -951.670 where: short stacking energy: -392.094 Base-Backbone interact. energy: -1.323 local terms energy: -471.167277 where: bonds (distance) C4'-P energy: -95.092 bonds (distance) P-C4' energy: -107.708 flat angles C4'-P-C4' energy: -111.567 flat angles P-C4'-P energy: -64.725 tors. eta vs tors. theta energy: -92.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1296.294027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.294027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.294027 (E_RNA) where: Base-Base interactions energy: -872.288 where: short stacking energy: -356.433 Base-Backbone interact. energy: 0.719 local terms energy: -424.724464 where: bonds (distance) C4'-P energy: -77.635 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -99.001 flat angles P-C4'-P energy: -64.009 tors. eta vs tors. theta energy: -93.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -835.157624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.157624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.157624 (E_RNA) where: Base-Base interactions energy: -469.242 where: short stacking energy: -256.036 Base-Backbone interact. energy: -0.072 local terms energy: -365.843469 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -88.292 flat angles C4'-P-C4' energy: -92.950 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: -27.420 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: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -2380.948192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.948192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.948192 (E_RNA) where: Base-Base interactions energy: -1695.854 where: short stacking energy: -673.276 Base-Backbone interact. energy: -0.286 local terms energy: -684.808417 where: bonds (distance) C4'-P energy: -121.538 bonds (distance) P-C4' energy: -111.094 flat angles C4'-P-C4' energy: -141.214 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -205.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2254.422876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.422876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.422876 (E_RNA) where: Base-Base interactions energy: -1558.254 where: short stacking energy: -620.563 Base-Backbone interact. energy: -1.578 local terms energy: -694.591353 where: bonds (distance) C4'-P energy: -117.554 bonds (distance) P-C4' energy: -139.607 flat angles C4'-P-C4' energy: -145.192 flat angles P-C4'-P energy: -97.917 tors. eta vs tors. theta energy: -194.322 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: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2183.353105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.353105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.353105 (E_RNA) where: Base-Base interactions energy: -1533.610 where: short stacking energy: -613.550 Base-Backbone interact. energy: -1.100 local terms energy: -648.642576 where: bonds (distance) C4'-P energy: -123.480 bonds (distance) P-C4' energy: -115.063 flat angles C4'-P-C4' energy: -132.489 flat angles P-C4'-P energy: -90.856 tors. eta vs tors. theta energy: -186.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2108.843768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.843768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.843768 (E_RNA) where: Base-Base interactions energy: -1463.971 where: short stacking energy: -597.451 Base-Backbone interact. energy: -1.444 local terms energy: -643.428532 where: bonds (distance) C4'-P energy: -120.017 bonds (distance) P-C4' energy: -109.745 flat angles C4'-P-C4' energy: -145.455 flat angles P-C4'-P energy: -83.742 tors. eta vs tors. theta energy: -184.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1964.697487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.697487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.697487 (E_RNA) where: Base-Base interactions energy: -1345.359 where: short stacking energy: -537.317 Base-Backbone interact. energy: -0.539 local terms energy: -618.800116 where: bonds (distance) C4'-P energy: -105.940 bonds (distance) P-C4' energy: -121.019 flat angles C4'-P-C4' energy: -133.319 flat angles P-C4'-P energy: -87.521 tors. eta vs tors. theta energy: -171.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1766.413482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.413482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.413482 (E_RNA) where: Base-Base interactions energy: -1236.166 where: short stacking energy: -512.915 Base-Backbone interact. energy: 5.236 local terms energy: -535.483403 where: bonds (distance) C4'-P energy: -103.820 bonds (distance) P-C4' energy: -100.779 flat angles C4'-P-C4' energy: -109.549 flat angles P-C4'-P energy: -79.661 tors. eta vs tors. theta energy: -141.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1573.015204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.015204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.015204 (E_RNA) where: Base-Base interactions energy: -1037.729 where: short stacking energy: -433.568 Base-Backbone interact. energy: 0.510 local terms energy: -535.796963 where: bonds (distance) C4'-P energy: -110.674 bonds (distance) P-C4' energy: -102.354 flat angles C4'-P-C4' energy: -115.250 flat angles P-C4'-P energy: -77.608 tors. eta vs tors. theta energy: -129.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1486.696307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.696307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.696307 (E_RNA) where: Base-Base interactions energy: -1022.560 where: short stacking energy: -419.786 Base-Backbone interact. energy: 1.511 local terms energy: -465.647193 where: bonds (distance) C4'-P energy: -91.297 bonds (distance) P-C4' energy: -90.523 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -71.652 tors. eta vs tors. theta energy: -101.604 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: 7 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1348.311694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.311694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.311694 (E_RNA) where: Base-Base interactions energy: -870.312 where: short stacking energy: -385.986 Base-Backbone interact. energy: -0.648 local terms energy: -477.351047 where: bonds (distance) C4'-P energy: -102.161 bonds (distance) P-C4' energy: -99.001 flat angles C4'-P-C4' energy: -107.606 flat angles P-C4'-P energy: -68.869 tors. eta vs tors. theta energy: -99.714 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: 3 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -897.509171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.509171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.509171 (E_RNA) where: Base-Base interactions energy: -517.061 where: short stacking energy: -258.905 Base-Backbone interact. energy: -1.841 local terms energy: -378.607829 where: bonds (distance) C4'-P energy: -97.351 bonds (distance) P-C4' energy: -103.622 flat angles C4'-P-C4' energy: -92.137 flat angles P-C4'-P energy: -47.876 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: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -2379.221681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.221681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.221681 (E_RNA) where: Base-Base interactions energy: -1651.631 where: short stacking energy: -667.649 Base-Backbone interact. energy: -1.754 local terms energy: -725.836836 where: bonds (distance) C4'-P energy: -127.740 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -150.389 flat angles P-C4'-P energy: -106.639 tors. eta vs tors. theta energy: -205.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2240.190342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.190342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.190342 (E_RNA) where: Base-Base interactions energy: -1559.940 where: short stacking energy: -634.079 Base-Backbone interact. energy: -2.748 local terms energy: -677.502404 where: bonds (distance) C4'-P energy: -128.675 bonds (distance) P-C4' energy: -118.828 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -94.743 tors. eta vs tors. theta energy: -194.805 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: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2156.542280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.542280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.542280 (E_RNA) where: Base-Base interactions energy: -1519.215 where: short stacking energy: -617.311 Base-Backbone interact. energy: 0.042 local terms energy: -637.369156 where: bonds (distance) C4'-P energy: -102.009 bonds (distance) P-C4' energy: -121.122 flat angles C4'-P-C4' energy: -139.593 flat angles P-C4'-P energy: -92.311 tors. eta vs tors. theta energy: -182.335 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: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2162.952575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.952575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.952575 (E_RNA) where: Base-Base interactions energy: -1514.933 where: short stacking energy: -631.705 Base-Backbone interact. energy: 0.489 local terms energy: -648.508294 where: bonds (distance) C4'-P energy: -106.376 bonds (distance) P-C4' energy: -126.363 flat angles C4'-P-C4' energy: -133.049 flat angles P-C4'-P energy: -91.825 tors. eta vs tors. theta energy: -190.896 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: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1931.258011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.258011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.258011 (E_RNA) where: Base-Base interactions energy: -1332.834 where: short stacking energy: -547.442 Base-Backbone interact. energy: -1.015 local terms energy: -597.409032 where: bonds (distance) C4'-P energy: -112.397 bonds (distance) P-C4' energy: -103.876 flat angles C4'-P-C4' energy: -136.962 flat angles P-C4'-P energy: -84.230 tors. eta vs tors. theta energy: -159.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1782.475259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.475259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.475259 (E_RNA) where: Base-Base interactions energy: -1248.879 where: short stacking energy: -506.623 Base-Backbone interact. energy: -0.854 local terms energy: -532.742743 where: bonds (distance) C4'-P energy: -93.707 bonds (distance) P-C4' energy: -97.583 flat angles C4'-P-C4' energy: -114.373 flat angles P-C4'-P energy: -89.301 tors. eta vs tors. theta energy: -137.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1485.677995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.677995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.677995 (E_RNA) where: Base-Base interactions energy: -987.968 where: short stacking energy: -447.309 Base-Backbone interact. energy: 2.518 local terms energy: -500.227300 where: bonds (distance) C4'-P energy: -97.240 bonds (distance) P-C4' energy: -95.804 flat angles C4'-P-C4' energy: -117.743 flat angles P-C4'-P energy: -69.205 tors. eta vs tors. theta energy: -120.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1558.897200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.897200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.897200 (E_RNA) where: Base-Base interactions energy: -1080.413 where: short stacking energy: -447.020 Base-Backbone interact. energy: -1.668 local terms energy: -476.816573 where: bonds (distance) C4'-P energy: -100.158 bonds (distance) P-C4' energy: -97.094 flat angles C4'-P-C4' energy: -106.268 flat angles P-C4'-P energy: -64.407 tors. eta vs tors. theta energy: -108.889 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: 7 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1288.205338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.205338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.205338 (E_RNA) where: Base-Base interactions energy: -855.914 where: short stacking energy: -350.276 Base-Backbone interact. energy: 0.236 local terms energy: -432.527305 where: bonds (distance) C4'-P energy: -83.342 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -97.756 flat angles P-C4'-P energy: -69.271 tors. eta vs tors. theta energy: -81.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -861.624418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.624418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.624418 (E_RNA) where: Base-Base interactions energy: -508.929 where: short stacking energy: -257.044 Base-Backbone interact. energy: 4.456 local terms energy: -357.150722 where: bonds (distance) C4'-P energy: -97.788 bonds (distance) P-C4' energy: -101.148 flat angles C4'-P-C4' energy: -99.140 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -18.855 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: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -2362.200091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.200091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.200091 (E_RNA) where: Base-Base interactions energy: -1676.826 where: short stacking energy: -677.609 Base-Backbone interact. energy: -0.514 local terms energy: -684.860247 where: bonds (distance) C4'-P energy: -122.824 bonds (distance) P-C4' energy: -120.315 flat angles C4'-P-C4' energy: -136.288 flat angles P-C4'-P energy: -97.688 tors. eta vs tors. theta energy: -207.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2257.123410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.123410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.123410 (E_RNA) where: Base-Base interactions energy: -1570.207 where: short stacking energy: -616.953 Base-Backbone interact. energy: -3.814 local terms energy: -683.102131 where: bonds (distance) C4'-P energy: -118.065 bonds (distance) P-C4' energy: -125.156 flat angles C4'-P-C4' energy: -139.519 flat angles P-C4'-P energy: -106.617 tors. eta vs tors. theta energy: -193.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2157.714553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.714553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.714553 (E_RNA) where: Base-Base interactions energy: -1508.257 where: short stacking energy: -625.830 Base-Backbone interact. energy: -0.176 local terms energy: -649.282021 where: bonds (distance) C4'-P energy: -108.491 bonds (distance) P-C4' energy: -114.463 flat angles C4'-P-C4' energy: -143.324 flat angles P-C4'-P energy: -88.892 tors. eta vs tors. theta energy: -194.112 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: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2158.472593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.472593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.472593 (E_RNA) where: Base-Base interactions energy: -1508.872 where: short stacking energy: -618.133 Base-Backbone interact. energy: -0.869 local terms energy: -648.732062 where: bonds (distance) C4'-P energy: -117.472 bonds (distance) P-C4' energy: -107.507 flat angles C4'-P-C4' energy: -136.295 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -196.000 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: 391 Temperature: 1.100000 Total energy: -1913.484384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.484384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.484384 (E_RNA) where: Base-Base interactions energy: -1346.473 where: short stacking energy: -550.946 Base-Backbone interact. energy: -1.316 local terms energy: -565.695336 where: bonds (distance) C4'-P energy: -97.366 bonds (distance) P-C4' energy: -108.700 flat angles C4'-P-C4' energy: -128.471 flat angles P-C4'-P energy: -74.892 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: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1753.098436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.098436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.098436 (E_RNA) where: Base-Base interactions energy: -1182.630 where: short stacking energy: -479.178 Base-Backbone interact. energy: 0.109 local terms energy: -570.577975 where: bonds (distance) C4'-P energy: -122.441 bonds (distance) P-C4' energy: -106.380 flat angles C4'-P-C4' energy: -122.347 flat angles P-C4'-P energy: -84.951 tors. eta vs tors. theta energy: -134.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1526.194964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.194964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.194964 (E_RNA) where: Base-Base interactions energy: -989.353 where: short stacking energy: -421.741 Base-Backbone interact. energy: -2.821 local terms energy: -534.021640 where: bonds (distance) C4'-P energy: -109.327 bonds (distance) P-C4' energy: -120.006 flat angles C4'-P-C4' energy: -114.367 flat angles P-C4'-P energy: -72.409 tors. eta vs tors. theta energy: -117.913 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1538.605735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.605735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.605735 (E_RNA) where: Base-Base interactions energy: -1031.082 where: short stacking energy: -440.173 Base-Backbone interact. energy: 1.680 local terms energy: -509.203707 where: bonds (distance) C4'-P energy: -99.256 bonds (distance) P-C4' energy: -94.411 flat angles C4'-P-C4' energy: -127.892 flat angles P-C4'-P energy: -73.567 tors. eta vs tors. theta energy: -114.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1308.010728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.010728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.010728 (E_RNA) where: Base-Base interactions energy: -870.149 where: short stacking energy: -389.828 Base-Backbone interact. energy: 3.396 local terms energy: -441.257153 where: bonds (distance) C4'-P energy: -94.240 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -105.719 flat angles P-C4'-P energy: -45.448 tors. eta vs tors. theta energy: -85.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -866.811041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.811041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.811041 (E_RNA) where: Base-Base interactions energy: -497.945 where: short stacking energy: -236.182 Base-Backbone interact. energy: 3.317 local terms energy: -372.183681 where: bonds (distance) C4'-P energy: -104.253 bonds (distance) P-C4' energy: -99.050 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -54.945 tors. eta vs tors. theta energy: -12.164 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: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -2371.131945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.131945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.131945 (E_RNA) where: Base-Base interactions energy: -1677.019 where: short stacking energy: -679.759 Base-Backbone interact. energy: -2.640 local terms energy: -691.473609 where: bonds (distance) C4'-P energy: -119.007 bonds (distance) P-C4' energy: -123.758 flat angles C4'-P-C4' energy: -140.429 flat angles P-C4'-P energy: -101.694 tors. eta vs tors. theta energy: -206.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2238.124843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.124843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.124843 (E_RNA) where: Base-Base interactions energy: -1568.793 where: short stacking energy: -617.543 Base-Backbone interact. energy: -3.280 local terms energy: -666.051767 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -124.733 flat angles C4'-P-C4' energy: -140.132 flat angles P-C4'-P energy: -94.663 tors. eta vs tors. theta energy: -190.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2201.811159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.811159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.811159 (E_RNA) where: Base-Base interactions energy: -1535.049 where: short stacking energy: -633.650 Base-Backbone interact. energy: -0.781 local terms energy: -665.981103 where: bonds (distance) C4'-P energy: -105.022 bonds (distance) P-C4' energy: -117.900 flat angles C4'-P-C4' energy: -148.429 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -204.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2154.860184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.860184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.860184 (E_RNA) where: Base-Base interactions energy: -1531.083 where: short stacking energy: -620.393 Base-Backbone interact. energy: -1.438 local terms energy: -622.339453 where: bonds (distance) C4'-P energy: -109.681 bonds (distance) P-C4' energy: -108.894 flat angles C4'-P-C4' energy: -129.568 flat angles P-C4'-P energy: -84.500 tors. eta vs tors. theta energy: -189.696 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: 392 Temperature: 1.100000 Total energy: -1935.360334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.360334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.360334 (E_RNA) where: Base-Base interactions energy: -1344.647 where: short stacking energy: -555.141 Base-Backbone interact. energy: 3.154 local terms energy: -593.867088 where: bonds (distance) C4'-P energy: -117.248 bonds (distance) P-C4' energy: -106.889 flat angles C4'-P-C4' energy: -123.528 flat angles P-C4'-P energy: -80.000 tors. eta vs tors. theta energy: -166.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1703.867782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.867782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.867782 (E_RNA) where: Base-Base interactions energy: -1159.238 where: short stacking energy: -470.743 Base-Backbone interact. energy: -2.793 local terms energy: -541.836911 where: bonds (distance) C4'-P energy: -86.833 bonds (distance) P-C4' energy: -113.671 flat angles C4'-P-C4' energy: -123.113 flat angles P-C4'-P energy: -94.526 tors. eta vs tors. theta energy: -123.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1615.735073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.735073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.735073 (E_RNA) where: Base-Base interactions energy: -1093.568 where: short stacking energy: -465.076 Base-Backbone interact. energy: 0.584 local terms energy: -522.751680 where: bonds (distance) C4'-P energy: -96.483 bonds (distance) P-C4' energy: -107.045 flat angles C4'-P-C4' energy: -111.851 flat angles P-C4'-P energy: -77.562 tors. eta vs tors. theta energy: -129.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1468.002450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.002450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.002450 (E_RNA) where: Base-Base interactions energy: -954.658 where: short stacking energy: -410.572 Base-Backbone interact. energy: 1.808 local terms energy: -515.152838 where: bonds (distance) C4'-P energy: -114.649 bonds (distance) P-C4' energy: -107.165 flat angles C4'-P-C4' energy: -117.804 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -103.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1302.811181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.811181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.811181 (E_RNA) where: Base-Base interactions energy: -852.829 where: short stacking energy: -373.776 Base-Backbone interact. energy: 0.490 local terms energy: -450.472558 where: bonds (distance) C4'-P energy: -87.616 bonds (distance) P-C4' energy: -93.346 flat angles C4'-P-C4' energy: -111.752 flat angles P-C4'-P energy: -63.617 tors. eta vs tors. theta energy: -94.141 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: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -868.207091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.207091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.207091 (E_RNA) where: Base-Base interactions energy: -491.084 where: short stacking energy: -242.347 Base-Backbone interact. energy: -0.591 local terms energy: -376.532236 where: bonds (distance) C4'-P energy: -87.196 bonds (distance) P-C4' energy: -94.012 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -68.530 tors. eta vs tors. theta energy: -17.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -2383.704054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.704054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.704054 (E_RNA) where: Base-Base interactions energy: -1688.554 where: short stacking energy: -676.627 Base-Backbone interact. energy: -0.369 local terms energy: -694.781335 where: bonds (distance) C4'-P energy: -121.250 bonds (distance) P-C4' energy: -120.994 flat angles C4'-P-C4' energy: -150.818 flat angles P-C4'-P energy: -91.026 tors. eta vs tors. theta energy: -210.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2248.081537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.081537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.081537 (E_RNA) where: Base-Base interactions energy: -1566.939 where: short stacking energy: -643.482 Base-Backbone interact. energy: -3.883 local terms energy: -677.259704 where: bonds (distance) C4'-P energy: -117.898 bonds (distance) P-C4' energy: -125.071 flat angles C4'-P-C4' energy: -140.232 flat angles P-C4'-P energy: -89.611 tors. eta vs tors. theta energy: -204.448 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2172.873235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.873235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.873235 (E_RNA) where: Base-Base interactions energy: -1496.270 where: short stacking energy: -615.100 Base-Backbone interact. energy: -3.263 local terms energy: -673.339846 where: bonds (distance) C4'-P energy: -113.888 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -136.545 flat angles P-C4'-P energy: -96.974 tors. eta vs tors. theta energy: -202.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2159.464847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.464847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.464847 (E_RNA) where: Base-Base interactions energy: -1541.013 where: short stacking energy: -630.660 Base-Backbone interact. energy: -1.568 local terms energy: -616.884284 where: bonds (distance) C4'-P energy: -119.268 bonds (distance) P-C4' energy: -105.830 flat angles C4'-P-C4' energy: -127.783 flat angles P-C4'-P energy: -91.411 tors. eta vs tors. theta energy: -172.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1959.744034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.744034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.744034 (E_RNA) where: Base-Base interactions energy: -1357.238 where: short stacking energy: -572.147 Base-Backbone interact. energy: -1.221 local terms energy: -601.285497 where: bonds (distance) C4'-P energy: -106.546 bonds (distance) P-C4' energy: -120.230 flat angles C4'-P-C4' energy: -109.873 flat angles P-C4'-P energy: -89.623 tors. eta vs tors. theta energy: -175.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1655.658003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.658003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.658003 (E_RNA) where: Base-Base interactions energy: -1105.727 where: short stacking energy: -482.770 Base-Backbone interact. energy: -0.491 local terms energy: -549.439924 where: bonds (distance) C4'-P energy: -92.733 bonds (distance) P-C4' energy: -108.381 flat angles C4'-P-C4' energy: -123.064 flat angles P-C4'-P energy: -80.280 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: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1733.998440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.998440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.998440 (E_RNA) where: Base-Base interactions energy: -1206.991 where: short stacking energy: -501.805 Base-Backbone interact. energy: -1.625 local terms energy: -525.382990 where: bonds (distance) C4'-P energy: -89.366 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -106.676 flat angles P-C4'-P energy: -83.501 tors. eta vs tors. theta energy: -145.596 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: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1453.611491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.611491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.611491 (E_RNA) where: Base-Base interactions energy: -954.633 where: short stacking energy: -398.385 Base-Backbone interact. energy: -1.543 local terms energy: -497.435539 where: bonds (distance) C4'-P energy: -96.894 bonds (distance) P-C4' energy: -109.314 flat angles C4'-P-C4' energy: -124.889 flat angles P-C4'-P energy: -67.975 tors. eta vs tors. theta energy: -98.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1286.084544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.084544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.084544 (E_RNA) where: Base-Base interactions energy: -846.574 where: short stacking energy: -371.008 Base-Backbone interact. energy: 2.036 local terms energy: -441.546314 where: bonds (distance) C4'-P energy: -88.430 bonds (distance) P-C4' energy: -80.254 flat angles C4'-P-C4' energy: -111.079 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -87.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -875.370141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.370141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.370141 (E_RNA) where: Base-Base interactions energy: -505.541 where: short stacking energy: -269.488 Base-Backbone interact. energy: 0.984 local terms energy: -370.812989 where: bonds (distance) C4'-P energy: -81.008 bonds (distance) P-C4' energy: -94.702 flat angles C4'-P-C4' energy: -107.332 flat angles P-C4'-P energy: -63.397 tors. eta vs tors. theta energy: -24.373 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: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -2369.720906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.720906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.720906 (E_RNA) where: Base-Base interactions energy: -1678.841 where: short stacking energy: -665.960 Base-Backbone interact. energy: 2.131 local terms energy: -693.011052 where: bonds (distance) C4'-P energy: -120.469 bonds (distance) P-C4' energy: -119.974 flat angles C4'-P-C4' energy: -144.109 flat angles P-C4'-P energy: -100.871 tors. eta vs tors. theta energy: -207.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2249.454972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.454972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.454972 (E_RNA) where: Base-Base interactions energy: -1580.630 where: short stacking energy: -632.277 Base-Backbone interact. energy: -3.193 local terms energy: -665.631719 where: bonds (distance) C4'-P energy: -111.577 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -143.185 flat angles P-C4'-P energy: -82.751 tors. eta vs tors. theta energy: -197.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2199.534944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.534944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.534944 (E_RNA) where: Base-Base interactions energy: -1534.620 where: short stacking energy: -629.991 Base-Backbone interact. energy: -1.500 local terms energy: -663.414816 where: bonds (distance) C4'-P energy: -109.175 bonds (distance) P-C4' energy: -114.366 flat angles C4'-P-C4' energy: -148.313 flat angles P-C4'-P energy: -90.893 tors. eta vs tors. theta energy: -200.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2158.049160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.049160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.049160 (E_RNA) where: Base-Base interactions energy: -1531.232 where: short stacking energy: -619.562 Base-Backbone interact. energy: -1.360 local terms energy: -625.458092 where: bonds (distance) C4'-P energy: -106.379 bonds (distance) P-C4' energy: -114.188 flat angles C4'-P-C4' energy: -133.882 flat angles P-C4'-P energy: -91.527 tors. eta vs tors. theta energy: -179.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1993.533174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.533174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.533174 (E_RNA) where: Base-Base interactions energy: -1377.531 where: short stacking energy: -590.388 Base-Backbone interact. energy: -1.590 local terms energy: -614.412593 where: bonds (distance) C4'-P energy: -119.470 bonds (distance) P-C4' energy: -102.628 flat angles C4'-P-C4' energy: -136.006 flat angles P-C4'-P energy: -78.850 tors. eta vs tors. theta energy: -177.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1656.204051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.204051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.204051 (E_RNA) where: Base-Base interactions energy: -1096.752 where: short stacking energy: -473.713 Base-Backbone interact. energy: -0.658 local terms energy: -558.794599 where: bonds (distance) C4'-P energy: -108.954 bonds (distance) P-C4' energy: -112.631 flat angles C4'-P-C4' energy: -129.690 flat angles P-C4'-P energy: -72.901 tors. eta vs tors. theta energy: -134.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1702.841026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.841026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.841026 (E_RNA) where: Base-Base interactions energy: -1166.699 where: short stacking energy: -482.895 Base-Backbone interact. energy: -3.009 local terms energy: -533.133613 where: bonds (distance) C4'-P energy: -81.873 bonds (distance) P-C4' energy: -90.404 flat angles C4'-P-C4' energy: -128.265 flat angles P-C4'-P energy: -97.840 tors. eta vs tors. theta energy: -134.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1464.552751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.552751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.552751 (E_RNA) where: Base-Base interactions energy: -944.338 where: short stacking energy: -396.437 Base-Backbone interact. energy: 0.310 local terms energy: -520.524682 where: bonds (distance) C4'-P energy: -103.238 bonds (distance) P-C4' energy: -118.100 flat angles C4'-P-C4' energy: -112.269 flat angles P-C4'-P energy: -72.599 tors. eta vs tors. theta energy: -114.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1262.018098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.018098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.018098 (E_RNA) where: Base-Base interactions energy: -822.910 where: short stacking energy: -365.288 Base-Backbone interact. energy: 5.479 local terms energy: -444.586492 where: bonds (distance) C4'-P energy: -87.720 bonds (distance) P-C4' energy: -103.338 flat angles C4'-P-C4' energy: -103.612 flat angles P-C4'-P energy: -67.664 tors. eta vs tors. theta energy: -82.252 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: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -841.536621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.536621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.536621 (E_RNA) where: Base-Base interactions energy: -479.134 where: short stacking energy: -234.604 Base-Backbone interact. energy: -3.375 local terms energy: -359.027525 where: bonds (distance) C4'-P energy: -96.940 bonds (distance) P-C4' energy: -124.735 flat angles C4'-P-C4' energy: -87.604 flat angles P-C4'-P energy: -41.012 tors. eta vs tors. theta energy: -8.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -2385.001112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.001112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.001112 (E_RNA) where: Base-Base interactions energy: -1665.445 where: short stacking energy: -660.595 Base-Backbone interact. energy: -2.180 local terms energy: -717.376077 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -135.067 flat angles C4'-P-C4' energy: -152.046 flat angles P-C4'-P energy: -110.691 tors. eta vs tors. theta energy: -202.036 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: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2246.883742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.883742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.883742 (E_RNA) where: Base-Base interactions energy: -1569.462 where: short stacking energy: -638.662 Base-Backbone interact. energy: -2.926 local terms energy: -674.496098 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -123.206 flat angles C4'-P-C4' energy: -147.756 flat angles P-C4'-P energy: -99.775 tors. eta vs tors. theta energy: -192.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2167.541322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.541322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.541322 (E_RNA) where: Base-Base interactions energy: -1507.458 where: short stacking energy: -603.105 Base-Backbone interact. energy: -1.337 local terms energy: -658.746166 where: bonds (distance) C4'-P energy: -105.489 bonds (distance) P-C4' energy: -132.985 flat angles C4'-P-C4' energy: -137.716 flat angles P-C4'-P energy: -94.279 tors. eta vs tors. theta energy: -188.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2152.143651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.143651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.143651 (E_RNA) where: Base-Base interactions energy: -1497.861 where: short stacking energy: -609.165 Base-Backbone interact. energy: -1.449 local terms energy: -652.833949 where: bonds (distance) C4'-P energy: -123.319 bonds (distance) P-C4' energy: -109.871 flat angles C4'-P-C4' energy: -150.830 flat angles P-C4'-P energy: -82.049 tors. eta vs tors. theta energy: -186.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1976.552349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.552349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.552349 (E_RNA) where: Base-Base interactions energy: -1366.668 where: short stacking energy: -534.486 Base-Backbone interact. energy: -1.282 local terms energy: -608.602255 where: bonds (distance) C4'-P energy: -105.380 bonds (distance) P-C4' energy: -123.748 flat angles C4'-P-C4' energy: -114.322 flat angles P-C4'-P energy: -101.921 tors. eta vs tors. theta energy: -163.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1748.481767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.481767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.481767 (E_RNA) where: Base-Base interactions energy: -1207.188 where: short stacking energy: -474.242 Base-Backbone interact. energy: 1.256 local terms energy: -542.549864 where: bonds (distance) C4'-P energy: -104.831 bonds (distance) P-C4' energy: -113.501 flat angles C4'-P-C4' energy: -112.804 flat angles P-C4'-P energy: -83.618 tors. eta vs tors. theta energy: -127.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1638.410076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.410076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.410076 (E_RNA) where: Base-Base interactions energy: -1086.571 where: short stacking energy: -442.933 Base-Backbone interact. energy: -1.999 local terms energy: -549.839698 where: bonds (distance) C4'-P energy: -108.795 bonds (distance) P-C4' energy: -108.851 flat angles C4'-P-C4' energy: -129.041 flat angles P-C4'-P energy: -79.678 tors. eta vs tors. theta energy: -123.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1431.370823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.370823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.370823 (E_RNA) where: Base-Base interactions energy: -943.264 where: short stacking energy: -405.489 Base-Backbone interact. energy: -1.026 local terms energy: -487.081583 where: bonds (distance) C4'-P energy: -105.517 bonds (distance) P-C4' energy: -100.459 flat angles C4'-P-C4' energy: -104.239 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -109.708 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: 9, replica: 7 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1279.798949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.798949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.798949 (E_RNA) where: Base-Base interactions energy: -844.234 where: short stacking energy: -363.682 Base-Backbone interact. energy: 0.546 local terms energy: -436.111603 where: bonds (distance) C4'-P energy: -87.358 bonds (distance) P-C4' energy: -98.194 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -75.905 tors. eta vs tors. theta energy: -69.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -827.486490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.486490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.486490 (E_RNA) where: Base-Base interactions energy: -468.989 where: short stacking energy: -219.316 Base-Backbone interact. energy: 0.841 local terms energy: -359.337680 where: bonds (distance) C4'-P energy: -107.394 bonds (distance) P-C4' energy: -99.129 flat angles C4'-P-C4' energy: -77.139 flat angles P-C4'-P energy: -63.726 tors. eta vs tors. theta energy: -11.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -2396.122795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.122795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.122795 (E_RNA) where: Base-Base interactions energy: -1702.557 where: short stacking energy: -693.017 Base-Backbone interact. energy: -0.836 local terms energy: -692.729904 where: bonds (distance) C4'-P energy: -116.366 bonds (distance) P-C4' energy: -119.049 flat angles C4'-P-C4' energy: -145.240 flat angles P-C4'-P energy: -101.892 tors. eta vs tors. theta energy: -210.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2233.436351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.436351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.436351 (E_RNA) where: Base-Base interactions energy: -1573.647 where: short stacking energy: -635.245 Base-Backbone interact. energy: -4.842 local terms energy: -654.947366 where: bonds (distance) C4'-P energy: -118.827 bonds (distance) P-C4' energy: -123.774 flat angles C4'-P-C4' energy: -128.780 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -194.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2224.683306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.683306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.683306 (E_RNA) where: Base-Base interactions energy: -1583.808 where: short stacking energy: -643.950 Base-Backbone interact. energy: -2.606 local terms energy: -638.269164 where: bonds (distance) C4'-P energy: -103.530 bonds (distance) P-C4' energy: -113.518 flat angles C4'-P-C4' energy: -129.847 flat angles P-C4'-P energy: -92.575 tors. eta vs tors. theta energy: -198.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2098.904617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.904617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.904617 (E_RNA) where: Base-Base interactions energy: -1479.978 where: short stacking energy: -591.644 Base-Backbone interact. energy: -2.552 local terms energy: -616.374522 where: bonds (distance) C4'-P energy: -108.712 bonds (distance) P-C4' energy: -117.906 flat angles C4'-P-C4' energy: -126.746 flat angles P-C4'-P energy: -88.621 tors. eta vs tors. theta energy: -174.390 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: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1958.192697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.192697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.192697 (E_RNA) where: Base-Base interactions energy: -1360.356 where: short stacking energy: -546.180 Base-Backbone interact. energy: -3.342 local terms energy: -594.494381 where: bonds (distance) C4'-P energy: -110.442 bonds (distance) P-C4' energy: -101.075 flat angles C4'-P-C4' energy: -124.049 flat angles P-C4'-P energy: -88.906 tors. eta vs tors. theta energy: -170.022 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: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1678.317723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.317723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.317723 (E_RNA) where: Base-Base interactions energy: -1148.020 where: short stacking energy: -482.553 Base-Backbone interact. energy: -0.448 local terms energy: -529.849729 where: bonds (distance) C4'-P energy: -111.304 bonds (distance) P-C4' energy: -106.058 flat angles C4'-P-C4' energy: -114.558 flat angles P-C4'-P energy: -71.502 tors. eta vs tors. theta energy: -126.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1649.498688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.498688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.498688 (E_RNA) where: Base-Base interactions energy: -1114.647 where: short stacking energy: -440.786 Base-Backbone interact. energy: -0.959 local terms energy: -533.892805 where: bonds (distance) C4'-P energy: -111.945 bonds (distance) P-C4' energy: -98.321 flat angles C4'-P-C4' energy: -127.006 flat angles P-C4'-P energy: -78.139 tors. eta vs tors. theta energy: -118.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1448.295459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.295459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.295459 (E_RNA) where: Base-Base interactions energy: -950.030 where: short stacking energy: -404.472 Base-Backbone interact. energy: 2.289 local terms energy: -500.554945 where: bonds (distance) C4'-P energy: -113.655 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -123.219 flat angles P-C4'-P energy: -61.426 tors. eta vs tors. theta energy: -105.970 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: 7 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1272.111319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.111319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.111319 (E_RNA) where: Base-Base interactions energy: -828.857 where: short stacking energy: -369.373 Base-Backbone interact. energy: 4.584 local terms energy: -447.838120 where: bonds (distance) C4'-P energy: -109.507 bonds (distance) P-C4' energy: -89.847 flat angles C4'-P-C4' energy: -94.586 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: -84.746 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: 3 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -872.510139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.510139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.510139 (E_RNA) where: Base-Base interactions energy: -495.683 where: short stacking energy: -239.312 Base-Backbone interact. energy: 0.775 local terms energy: -377.601465 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -97.106 flat angles C4'-P-C4' energy: -105.708 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: -33.825 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: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -2408.174215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.174215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.174215 (E_RNA) where: Base-Base interactions energy: -1685.508 where: short stacking energy: -698.431 Base-Backbone interact. energy: -0.038 local terms energy: -722.628383 where: bonds (distance) C4'-P energy: -127.278 bonds (distance) P-C4' energy: -125.977 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -105.160 tors. eta vs tors. theta energy: -211.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2240.945465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.945465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.945465 (E_RNA) where: Base-Base interactions energy: -1561.057 where: short stacking energy: -639.879 Base-Backbone interact. energy: -3.893 local terms energy: -675.996230 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -127.772 flat angles C4'-P-C4' energy: -131.253 flat angles P-C4'-P energy: -99.885 tors. eta vs tors. theta energy: -194.674 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: 3, replica: 6 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2203.055341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.055341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.055341 (E_RNA) where: Base-Base interactions energy: -1553.036 where: short stacking energy: -631.224 Base-Backbone interact. energy: -1.972 local terms energy: -648.047297 where: bonds (distance) C4'-P energy: -118.225 bonds (distance) P-C4' energy: -112.185 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -90.524 tors. eta vs tors. theta energy: -189.299 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: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2131.557025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.557025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.557025 (E_RNA) where: Base-Base interactions energy: -1505.281 where: short stacking energy: -610.591 Base-Backbone interact. energy: -1.595 local terms energy: -624.681213 where: bonds (distance) C4'-P energy: -105.842 bonds (distance) P-C4' energy: -114.452 flat angles C4'-P-C4' energy: -126.047 flat angles P-C4'-P energy: -90.982 tors. eta vs tors. theta energy: -187.358 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: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1926.848233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.848233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.848233 (E_RNA) where: Base-Base interactions energy: -1342.708 where: short stacking energy: -541.245 Base-Backbone interact. energy: -0.016 local terms energy: -584.124509 where: bonds (distance) C4'-P energy: -108.085 bonds (distance) P-C4' energy: -106.177 flat angles C4'-P-C4' energy: -120.790 flat angles P-C4'-P energy: -80.514 tors. eta vs tors. theta energy: -168.558 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: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1740.027083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.027083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.027083 (E_RNA) where: Base-Base interactions energy: -1196.794 where: short stacking energy: -528.179 Base-Backbone interact. energy: 2.479 local terms energy: -545.711689 where: bonds (distance) C4'-P energy: -101.518 bonds (distance) P-C4' energy: -108.832 flat angles C4'-P-C4' energy: -118.941 flat angles P-C4'-P energy: -84.949 tors. eta vs tors. theta energy: -131.472 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: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1705.362016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.362016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.362016 (E_RNA) where: Base-Base interactions energy: -1181.365 where: short stacking energy: -456.541 Base-Backbone interact. energy: 0.970 local terms energy: -524.967421 where: bonds (distance) C4'-P energy: -110.524 bonds (distance) P-C4' energy: -108.960 flat angles C4'-P-C4' energy: -106.428 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -116.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1476.254838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.254838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.254838 (E_RNA) where: Base-Base interactions energy: -982.782 where: short stacking energy: -431.143 Base-Backbone interact. energy: -2.270 local terms energy: -491.203226 where: bonds (distance) C4'-P energy: -103.161 bonds (distance) P-C4' energy: -101.039 flat angles C4'-P-C4' energy: -108.141 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -107.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1283.137009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.137009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.137009 (E_RNA) where: Base-Base interactions energy: -854.999 where: short stacking energy: -380.818 Base-Backbone interact. energy: 0.021 local terms energy: -428.158980 where: bonds (distance) C4'-P energy: -106.411 bonds (distance) P-C4' energy: -80.849 flat angles C4'-P-C4' energy: -110.645 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: -72.965 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: 3 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -862.914592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.914592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.914592 (E_RNA) where: Base-Base interactions energy: -507.737 where: short stacking energy: -239.730 Base-Backbone interact. energy: -1.359 local terms energy: -353.818668 where: bonds (distance) C4'-P energy: -105.956 bonds (distance) P-C4' energy: -100.254 flat angles C4'-P-C4' energy: -87.004 flat angles P-C4'-P energy: -42.222 tors. eta vs tors. theta energy: -18.382 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: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -2399.418166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.418166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.418166 (E_RNA) where: Base-Base interactions energy: -1697.004 where: short stacking energy: -666.105 Base-Backbone interact. energy: 2.267 local terms energy: -704.680944 where: bonds (distance) C4'-P energy: -117.576 bonds (distance) P-C4' energy: -132.664 flat angles C4'-P-C4' energy: -155.088 flat angles P-C4'-P energy: -95.482 tors. eta vs tors. theta energy: -203.870 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: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2236.299354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.299354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.299354 (E_RNA) where: Base-Base interactions energy: -1563.656 where: short stacking energy: -618.587 Base-Backbone interact. energy: -2.939 local terms energy: -669.703970 where: bonds (distance) C4'-P energy: -111.579 bonds (distance) P-C4' energy: -122.988 flat angles C4'-P-C4' energy: -139.550 flat angles P-C4'-P energy: -110.460 tors. eta vs tors. theta energy: -185.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2206.783933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.783933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.783933 (E_RNA) where: Base-Base interactions energy: -1539.902 where: short stacking energy: -608.532 Base-Backbone interact. energy: -2.657 local terms energy: -664.224623 where: bonds (distance) C4'-P energy: -128.039 bonds (distance) P-C4' energy: -118.095 flat angles C4'-P-C4' energy: -137.773 flat angles P-C4'-P energy: -97.286 tors. eta vs tors. theta energy: -183.032 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: 9 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2156.362227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.362227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.362227 (E_RNA) where: Base-Base interactions energy: -1493.651 where: short stacking energy: -617.677 Base-Backbone interact. energy: -2.318 local terms energy: -660.392357 where: bonds (distance) C4'-P energy: -109.988 bonds (distance) P-C4' energy: -108.686 flat angles C4'-P-C4' energy: -142.786 flat angles P-C4'-P energy: -103.865 tors. eta vs tors. theta energy: -195.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1882.788859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.788859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.788859 (E_RNA) where: Base-Base interactions energy: -1287.117 where: short stacking energy: -523.421 Base-Backbone interact. energy: -1.495 local terms energy: -594.176850 where: bonds (distance) C4'-P energy: -99.135 bonds (distance) P-C4' energy: -112.748 flat angles C4'-P-C4' energy: -133.648 flat angles P-C4'-P energy: -87.281 tors. eta vs tors. theta energy: -161.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1737.783796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.783796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.783796 (E_RNA) where: Base-Base interactions energy: -1179.040 where: short stacking energy: -513.709 Base-Backbone interact. energy: -1.439 local terms energy: -557.304876 where: bonds (distance) C4'-P energy: -99.710 bonds (distance) P-C4' energy: -107.531 flat angles C4'-P-C4' energy: -119.347 flat angles P-C4'-P energy: -74.687 tors. eta vs tors. theta energy: -156.030 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: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1715.533207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.533207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.533207 (E_RNA) where: Base-Base interactions energy: -1195.457 where: short stacking energy: -501.988 Base-Backbone interact. energy: -1.896 local terms energy: -518.180336 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -98.681 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -83.123 tors. eta vs tors. theta energy: -135.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1432.929916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.929916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.929916 (E_RNA) where: Base-Base interactions energy: -925.637 where: short stacking energy: -390.168 Base-Backbone interact. energy: 0.676 local terms energy: -507.969092 where: bonds (distance) C4'-P energy: -113.184 bonds (distance) P-C4' energy: -114.021 flat angles C4'-P-C4' energy: -101.428 flat angles P-C4'-P energy: -83.168 tors. eta vs tors. theta energy: -96.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1287.065460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.065460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.065460 (E_RNA) where: Base-Base interactions energy: -849.159 where: short stacking energy: -348.187 Base-Backbone interact. energy: -0.064 local terms energy: -437.842789 where: bonds (distance) C4'-P energy: -99.854 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -85.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -907.836118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.836118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.836118 (E_RNA) where: Base-Base interactions energy: -566.469 where: short stacking energy: -263.027 Base-Backbone interact. energy: 0.636 local terms energy: -342.003776 where: bonds (distance) C4'-P energy: -72.480 bonds (distance) P-C4' energy: -93.653 flat angles C4'-P-C4' energy: -87.812 flat angles P-C4'-P energy: -57.555 tors. eta vs tors. theta energy: -30.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -2382.113187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.113187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.113187 (E_RNA) where: Base-Base interactions energy: -1683.209 where: short stacking energy: -694.039 Base-Backbone interact. energy: -0.237 local terms energy: -698.667012 where: bonds (distance) C4'-P energy: -117.613 bonds (distance) P-C4' energy: -124.630 flat angles C4'-P-C4' energy: -146.781 flat angles P-C4'-P energy: -90.141 tors. eta vs tors. theta energy: -219.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2228.843213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.843213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.843213 (E_RNA) where: Base-Base interactions energy: -1564.189 where: short stacking energy: -627.823 Base-Backbone interact. energy: -4.506 local terms energy: -660.148296 where: bonds (distance) C4'-P energy: -120.183 bonds (distance) P-C4' energy: -125.124 flat angles C4'-P-C4' energy: -140.709 flat angles P-C4'-P energy: -91.308 tors. eta vs tors. theta energy: -182.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2169.361543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.361543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.361543 (E_RNA) where: Base-Base interactions energy: -1516.332 where: short stacking energy: -618.759 Base-Backbone interact. energy: -1.894 local terms energy: -651.136490 where: bonds (distance) C4'-P energy: -121.857 bonds (distance) P-C4' energy: -106.441 flat angles C4'-P-C4' energy: -145.852 flat angles P-C4'-P energy: -92.255 tors. eta vs tors. theta energy: -184.733 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: 4, replica: 9 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2164.097215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.097215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.097215 (E_RNA) where: Base-Base interactions energy: -1516.596 where: short stacking energy: -631.980 Base-Backbone interact. energy: -1.077 local terms energy: -646.424169 where: bonds (distance) C4'-P energy: -102.505 bonds (distance) P-C4' energy: -121.634 flat angles C4'-P-C4' energy: -135.450 flat angles P-C4'-P energy: -79.945 tors. eta vs tors. theta energy: -206.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1891.999137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.999137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.999137 (E_RNA) where: Base-Base interactions energy: -1299.660 where: short stacking energy: -528.831 Base-Backbone interact. energy: 0.202 local terms energy: -592.540983 where: bonds (distance) C4'-P energy: -112.609 bonds (distance) P-C4' energy: -120.971 flat angles C4'-P-C4' energy: -115.467 flat angles P-C4'-P energy: -83.596 tors. eta vs tors. theta energy: -159.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1827.021416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.021416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.021416 (E_RNA) where: Base-Base interactions energy: -1273.932 where: short stacking energy: -498.284 Base-Backbone interact. energy: 1.204 local terms energy: -554.293518 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -92.724 flat angles C4'-P-C4' energy: -115.074 flat angles P-C4'-P energy: -81.262 tors. eta vs tors. theta energy: -140.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1645.253366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.253366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.253366 (E_RNA) where: Base-Base interactions energy: -1103.120 where: short stacking energy: -457.814 Base-Backbone interact. energy: -2.685 local terms energy: -539.448567 where: bonds (distance) C4'-P energy: -102.157 bonds (distance) P-C4' energy: -99.837 flat angles C4'-P-C4' energy: -121.280 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -130.476 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: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1438.293993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.293993 (E_RNA) where: Base-Base interactions energy: -947.965 where: short stacking energy: -402.878 Base-Backbone interact. energy: -1.260 local terms energy: -489.068525 where: bonds (distance) C4'-P energy: -100.759 bonds (distance) P-C4' energy: -109.013 flat angles C4'-P-C4' energy: -104.772 flat angles P-C4'-P energy: -77.043 tors. eta vs tors. theta energy: -97.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1298.924810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.924810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.924810 (E_RNA) where: Base-Base interactions energy: -847.345 where: short stacking energy: -372.577 Base-Backbone interact. energy: -1.826 local terms energy: -449.753874 where: bonds (distance) C4'-P energy: -96.851 bonds (distance) P-C4' energy: -106.125 flat angles C4'-P-C4' energy: -95.509 flat angles P-C4'-P energy: -68.666 tors. eta vs tors. theta energy: -82.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -864.737934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.737934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.737934 (E_RNA) where: Base-Base interactions energy: -487.746 where: short stacking energy: -218.366 Base-Backbone interact. energy: 0.387 local terms energy: -377.378449 where: bonds (distance) C4'-P energy: -102.804 bonds (distance) P-C4' energy: -99.263 flat angles C4'-P-C4' energy: -100.792 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -20.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -2389.601586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.601586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.601586 (E_RNA) where: Base-Base interactions energy: -1697.433 where: short stacking energy: -674.439 Base-Backbone interact. energy: -0.105 local terms energy: -692.063721 where: bonds (distance) C4'-P energy: -121.347 bonds (distance) P-C4' energy: -121.578 flat angles C4'-P-C4' energy: -142.438 flat angles P-C4'-P energy: -101.572 tors. eta vs tors. theta energy: -205.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2238.347240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.347240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.347240 (E_RNA) where: Base-Base interactions energy: -1566.068 where: short stacking energy: -637.619 Base-Backbone interact. energy: -2.313 local terms energy: -669.966936 where: bonds (distance) C4'-P energy: -113.423 bonds (distance) P-C4' energy: -118.622 flat angles C4'-P-C4' energy: -140.382 flat angles P-C4'-P energy: -103.519 tors. eta vs tors. theta energy: -194.020 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2187.426580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.426580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.426580 (E_RNA) where: Base-Base interactions energy: -1538.486 where: short stacking energy: -626.019 Base-Backbone interact. energy: -1.208 local terms energy: -647.731803 where: bonds (distance) C4'-P energy: -130.330 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -131.681 flat angles P-C4'-P energy: -92.221 tors. eta vs tors. theta energy: -186.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2140.837548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.837548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.837548 (E_RNA) where: Base-Base interactions energy: -1502.489 where: short stacking energy: -621.524 Base-Backbone interact. energy: -2.687 local terms energy: -635.661840 where: bonds (distance) C4'-P energy: -112.542 bonds (distance) P-C4' energy: -119.050 flat angles C4'-P-C4' energy: -137.797 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -180.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1935.877605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.877605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.877605 (E_RNA) where: Base-Base interactions energy: -1313.237 where: short stacking energy: -539.800 Base-Backbone interact. energy: -1.744 local terms energy: -620.896907 where: bonds (distance) C4'-P energy: -115.258 bonds (distance) P-C4' energy: -125.903 flat angles C4'-P-C4' energy: -133.447 flat angles P-C4'-P energy: -80.300 tors. eta vs tors. theta energy: -165.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1809.873490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.873490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.873490 (E_RNA) where: Base-Base interactions energy: -1245.725 where: short stacking energy: -510.221 Base-Backbone interact. energy: 0.342 local terms energy: -564.490098 where: bonds (distance) C4'-P energy: -108.802 bonds (distance) P-C4' energy: -111.508 flat angles C4'-P-C4' energy: -117.123 flat angles P-C4'-P energy: -88.522 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: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1677.333844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.333844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.333844 (E_RNA) where: Base-Base interactions energy: -1116.841 where: short stacking energy: -468.105 Base-Backbone interact. energy: -0.993 local terms energy: -559.499952 where: bonds (distance) C4'-P energy: -114.806 bonds (distance) P-C4' energy: -107.019 flat angles C4'-P-C4' energy: -120.307 flat angles P-C4'-P energy: -88.702 tors. eta vs tors. theta energy: -128.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1487.305393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.305393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.305393 (E_RNA) where: Base-Base interactions energy: -975.252 where: short stacking energy: -434.290 Base-Backbone interact. energy: -1.461 local terms energy: -510.592009 where: bonds (distance) C4'-P energy: -98.212 bonds (distance) P-C4' energy: -114.392 flat angles C4'-P-C4' energy: -110.190 flat angles P-C4'-P energy: -66.615 tors. eta vs tors. theta energy: -121.184 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: 7 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1301.700048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.700048 (E_RNA) where: Base-Base interactions energy: -858.022 where: short stacking energy: -386.849 Base-Backbone interact. energy: -0.331 local terms energy: -443.347767 where: bonds (distance) C4'-P energy: -97.912 bonds (distance) P-C4' energy: -92.564 flat angles C4'-P-C4' energy: -111.293 flat angles P-C4'-P energy: -64.721 tors. eta vs tors. theta energy: -76.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -905.714789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.714789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.714789 (E_RNA) where: Base-Base interactions energy: -543.827 where: short stacking energy: -272.956 Base-Backbone interact. energy: 0.902 local terms energy: -362.789845 where: bonds (distance) C4'-P energy: -81.358 bonds (distance) P-C4' energy: -85.213 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -31.356 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: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -2412.230215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.230215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.230215 (E_RNA) where: Base-Base interactions energy: -1695.696 where: short stacking energy: -694.327 Base-Backbone interact. energy: -1.347 local terms energy: -715.187042 where: bonds (distance) C4'-P energy: -129.473 bonds (distance) P-C4' energy: -127.294 flat angles C4'-P-C4' energy: -148.397 flat angles P-C4'-P energy: -97.948 tors. eta vs tors. theta energy: -212.075 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: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2248.504754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.504754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.504754 (E_RNA) where: Base-Base interactions energy: -1572.283 where: short stacking energy: -642.607 Base-Backbone interact. energy: -2.800 local terms energy: -673.421602 where: bonds (distance) C4'-P energy: -108.854 bonds (distance) P-C4' energy: -128.123 flat angles C4'-P-C4' energy: -137.539 flat angles P-C4'-P energy: -105.922 tors. eta vs tors. theta energy: -192.983 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: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2197.357467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.357467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.357467 (E_RNA) where: Base-Base interactions energy: -1538.628 where: short stacking energy: -624.067 Base-Backbone interact. energy: -3.045 local terms energy: -655.684560 where: bonds (distance) C4'-P energy: -121.912 bonds (distance) P-C4' energy: -122.007 flat angles C4'-P-C4' energy: -138.284 flat angles P-C4'-P energy: -84.378 tors. eta vs tors. theta energy: -189.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2125.728593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.728593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.728593 (E_RNA) where: Base-Base interactions energy: -1467.478 where: short stacking energy: -588.420 Base-Backbone interact. energy: -1.424 local terms energy: -656.826574 where: bonds (distance) C4'-P energy: -116.336 bonds (distance) P-C4' energy: -119.042 flat angles C4'-P-C4' energy: -139.250 flat angles P-C4'-P energy: -91.055 tors. eta vs tors. theta energy: -191.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1985.218235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.218235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.218235 (E_RNA) where: Base-Base interactions energy: -1391.688 where: short stacking energy: -560.763 Base-Backbone interact. energy: 3.076 local terms energy: -596.606194 where: bonds (distance) C4'-P energy: -95.517 bonds (distance) P-C4' energy: -113.696 flat angles C4'-P-C4' energy: -133.255 flat angles P-C4'-P energy: -82.888 tors. eta vs tors. theta energy: -171.250 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: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1792.311403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.311403 (E_RNA) where: Base-Base interactions energy: -1223.335 where: short stacking energy: -492.846 Base-Backbone interact. energy: -2.089 local terms energy: -566.886766 where: bonds (distance) C4'-P energy: -103.292 bonds (distance) P-C4' energy: -115.309 flat angles C4'-P-C4' energy: -122.331 flat angles P-C4'-P energy: -85.714 tors. eta vs tors. theta energy: -140.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1683.103646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.103646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.103646 (E_RNA) where: Base-Base interactions energy: -1139.039 where: short stacking energy: -470.962 Base-Backbone interact. energy: 4.602 local terms energy: -548.666236 where: bonds (distance) C4'-P energy: -96.229 bonds (distance) P-C4' energy: -102.813 flat angles C4'-P-C4' energy: -125.247 flat angles P-C4'-P energy: -85.273 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: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1518.183712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.183712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.183712 (E_RNA) where: Base-Base interactions energy: -1022.807 where: short stacking energy: -422.289 Base-Backbone interact. energy: -1.489 local terms energy: -493.887739 where: bonds (distance) C4'-P energy: -110.474 bonds (distance) P-C4' energy: -89.144 flat angles C4'-P-C4' energy: -113.725 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -104.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1288.265379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.265379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.265379 (E_RNA) where: Base-Base interactions energy: -866.728 where: short stacking energy: -377.304 Base-Backbone interact. energy: 1.236 local terms energy: -422.773503 where: bonds (distance) C4'-P energy: -90.290 bonds (distance) P-C4' energy: -95.443 flat angles C4'-P-C4' energy: -89.070 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -84.950 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: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -954.342096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.342096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.342096 (E_RNA) where: Base-Base interactions energy: -570.500 where: short stacking energy: -280.222 Base-Backbone interact. energy: -0.577 local terms energy: -383.265424 where: bonds (distance) C4'-P energy: -86.476 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -102.086 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -40.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -2394.786517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.786517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.786517 (E_RNA) where: Base-Base interactions energy: -1684.105 where: short stacking energy: -681.720 Base-Backbone interact. energy: -0.687 local terms energy: -709.994269 where: bonds (distance) C4'-P energy: -135.549 bonds (distance) P-C4' energy: -127.608 flat angles C4'-P-C4' energy: -142.473 flat angles P-C4'-P energy: -91.773 tors. eta vs tors. theta energy: -212.592 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: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2266.079969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.079969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.079969 (E_RNA) where: Base-Base interactions energy: -1580.351 where: short stacking energy: -643.288 Base-Backbone interact. energy: -3.754 local terms energy: -681.975100 where: bonds (distance) C4'-P energy: -128.305 bonds (distance) P-C4' energy: -121.147 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -96.378 tors. eta vs tors. theta energy: -197.299 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: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2199.046209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.046209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.046209 (E_RNA) where: Base-Base interactions energy: -1555.103 where: short stacking energy: -611.021 Base-Backbone interact. energy: -2.110 local terms energy: -641.833429 where: bonds (distance) C4'-P energy: -122.773 bonds (distance) P-C4' energy: -117.946 flat angles C4'-P-C4' energy: -137.867 flat angles P-C4'-P energy: -83.014 tors. eta vs tors. theta energy: -180.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2120.083785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.083785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.083785 (E_RNA) where: Base-Base interactions energy: -1470.600 where: short stacking energy: -598.444 Base-Backbone interact. energy: -0.961 local terms energy: -648.522847 where: bonds (distance) C4'-P energy: -112.425 bonds (distance) P-C4' energy: -126.694 flat angles C4'-P-C4' energy: -136.699 flat angles P-C4'-P energy: -88.800 tors. eta vs tors. theta energy: -183.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1957.814776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.814776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.814776 (E_RNA) where: Base-Base interactions energy: -1338.452 where: short stacking energy: -572.686 Base-Backbone interact. energy: -2.615 local terms energy: -616.748000 where: bonds (distance) C4'-P energy: -107.571 bonds (distance) P-C4' energy: -124.380 flat angles C4'-P-C4' energy: -135.115 flat angles P-C4'-P energy: -88.062 tors. eta vs tors. theta energy: -161.619 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: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1814.896158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.896158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.896158 (E_RNA) where: Base-Base interactions energy: -1238.883 where: short stacking energy: -509.728 Base-Backbone interact. energy: -0.885 local terms energy: -575.127923 where: bonds (distance) C4'-P energy: -111.171 bonds (distance) P-C4' energy: -120.506 flat angles C4'-P-C4' energy: -121.287 flat angles P-C4'-P energy: -85.425 tors. eta vs tors. theta energy: -136.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1654.534376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.534376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.534376 (E_RNA) where: Base-Base interactions energy: -1106.996 where: short stacking energy: -478.915 Base-Backbone interact. energy: -0.987 local terms energy: -546.551647 where: bonds (distance) C4'-P energy: -105.405 bonds (distance) P-C4' energy: -118.850 flat angles C4'-P-C4' energy: -111.851 flat angles P-C4'-P energy: -76.090 tors. eta vs tors. theta energy: -134.356 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1472.970045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.970045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.970045 (E_RNA) where: Base-Base interactions energy: -981.619 where: short stacking energy: -410.881 Base-Backbone interact. energy: -2.703 local terms energy: -488.648615 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -120.148 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -70.817 tors. eta vs tors. theta energy: -98.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1305.132347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.132347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.132347 (E_RNA) where: Base-Base interactions energy: -886.592 where: short stacking energy: -375.434 Base-Backbone interact. energy: 0.179 local terms energy: -418.720283 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -113.211 flat angles P-C4'-P energy: -64.780 tors. eta vs tors. theta energy: -74.007 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: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -935.679526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.679526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.679526 (E_RNA) where: Base-Base interactions energy: -533.758 where: short stacking energy: -235.883 Base-Backbone interact. energy: 1.033 local terms energy: -402.954584 where: bonds (distance) C4'-P energy: -102.476 bonds (distance) P-C4' energy: -114.007 flat angles C4'-P-C4' energy: -100.096 flat angles P-C4'-P energy: -51.603 tors. eta vs tors. theta energy: -34.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -2393.041954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.041954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.041954 (E_RNA) where: Base-Base interactions energy: -1699.631 where: short stacking energy: -677.681 Base-Backbone interact. energy: -2.553 local terms energy: -690.857483 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -128.194 flat angles C4'-P-C4' energy: -140.933 flat angles P-C4'-P energy: -94.445 tors. eta vs tors. theta energy: -209.350 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: 2, replica: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2240.495862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.495862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.495862 (E_RNA) where: Base-Base interactions energy: -1564.637 where: short stacking energy: -644.650 Base-Backbone interact. energy: -0.899 local terms energy: -674.960289 where: bonds (distance) C4'-P energy: -116.691 bonds (distance) P-C4' energy: -122.074 flat angles C4'-P-C4' energy: -143.129 flat angles P-C4'-P energy: -105.554 tors. eta vs tors. theta energy: -187.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2167.848959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.848959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.848959 (E_RNA) where: Base-Base interactions energy: -1515.800 where: short stacking energy: -632.893 Base-Backbone interact. energy: 0.153 local terms energy: -652.202109 where: bonds (distance) C4'-P energy: -101.926 bonds (distance) P-C4' energy: -124.563 flat angles C4'-P-C4' energy: -136.931 flat angles P-C4'-P energy: -98.516 tors. eta vs tors. theta energy: -190.266 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: 9 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2115.684740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.684740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.684740 (E_RNA) where: Base-Base interactions energy: -1515.351 where: short stacking energy: -600.865 Base-Backbone interact. energy: -1.317 local terms energy: -599.017207 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -119.214 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -77.488 tors. eta vs tors. theta energy: -178.620 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: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2002.239052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.239052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.239052 (E_RNA) where: Base-Base interactions energy: -1408.680 where: short stacking energy: -579.402 Base-Backbone interact. energy: -0.190 local terms energy: -593.369363 where: bonds (distance) C4'-P energy: -107.887 bonds (distance) P-C4' energy: -101.216 flat angles C4'-P-C4' energy: -119.854 flat angles P-C4'-P energy: -90.758 tors. eta vs tors. theta energy: -173.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1838.941521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.941521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.941521 (E_RNA) where: Base-Base interactions energy: -1289.437 where: short stacking energy: -532.875 Base-Backbone interact. energy: -1.227 local terms energy: -548.277148 where: bonds (distance) C4'-P energy: -98.916 bonds (distance) P-C4' energy: -93.666 flat angles C4'-P-C4' energy: -120.449 flat angles P-C4'-P energy: -90.801 tors. eta vs tors. theta energy: -144.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1627.423078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.423078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.423078 (E_RNA) where: Base-Base interactions energy: -1100.024 where: short stacking energy: -472.078 Base-Backbone interact. energy: -1.677 local terms energy: -525.721376 where: bonds (distance) C4'-P energy: -105.925 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -124.208 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -127.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1452.932409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.932409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.932409 (E_RNA) where: Base-Base interactions energy: -941.371 where: short stacking energy: -391.736 Base-Backbone interact. energy: 1.626 local terms energy: -513.186757 where: bonds (distance) C4'-P energy: -117.496 bonds (distance) P-C4' energy: -102.663 flat angles C4'-P-C4' energy: -123.772 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -99.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1282.994934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.994934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.994934 (E_RNA) where: Base-Base interactions energy: -837.736 where: short stacking energy: -359.032 Base-Backbone interact. energy: 2.184 local terms energy: -447.442986 where: bonds (distance) C4'-P energy: -98.191 bonds (distance) P-C4' energy: -112.109 flat angles C4'-P-C4' energy: -101.540 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -77.303 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: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -956.304618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.304618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.304618 (E_RNA) where: Base-Base interactions energy: -595.788 where: short stacking energy: -261.216 Base-Backbone interact. energy: -0.042 local terms energy: -360.473990 where: bonds (distance) C4'-P energy: -92.547 bonds (distance) P-C4' energy: -83.312 flat angles C4'-P-C4' energy: -85.980 flat angles P-C4'-P energy: -60.041 tors. eta vs tors. theta energy: -38.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -2412.538870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.538870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.538870 (E_RNA) where: Base-Base interactions energy: -1722.073 where: short stacking energy: -694.658 Base-Backbone interact. energy: -1.044 local terms energy: -689.422223 where: bonds (distance) C4'-P energy: -114.897 bonds (distance) P-C4' energy: -117.496 flat angles C4'-P-C4' energy: -142.903 flat angles P-C4'-P energy: -106.208 tors. eta vs tors. theta energy: -207.918 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: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2233.470965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.470965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.470965 (E_RNA) where: Base-Base interactions energy: -1578.971 where: short stacking energy: -648.784 Base-Backbone interact. energy: -0.670 local terms energy: -653.830139 where: bonds (distance) C4'-P energy: -115.910 bonds (distance) P-C4' energy: -109.251 flat angles C4'-P-C4' energy: -138.239 flat angles P-C4'-P energy: -104.495 tors. eta vs tors. theta energy: -185.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2181.636358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.636358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.636358 (E_RNA) where: Base-Base interactions energy: -1532.394 where: short stacking energy: -606.853 Base-Backbone interact. energy: 0.318 local terms energy: -649.560419 where: bonds (distance) C4'-P energy: -108.735 bonds (distance) P-C4' energy: -117.053 flat angles C4'-P-C4' energy: -146.111 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -183.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2120.823767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.823767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.823767 (E_RNA) where: Base-Base interactions energy: -1486.806 where: short stacking energy: -585.922 Base-Backbone interact. energy: -2.097 local terms energy: -631.920741 where: bonds (distance) C4'-P energy: -120.625 bonds (distance) P-C4' energy: -106.888 flat angles C4'-P-C4' energy: -132.812 flat angles P-C4'-P energy: -87.151 tors. eta vs tors. theta energy: -184.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1954.394667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.394667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.394667 (E_RNA) where: Base-Base interactions energy: -1356.533 where: short stacking energy: -537.473 Base-Backbone interact. energy: 0.701 local terms energy: -598.562304 where: bonds (distance) C4'-P energy: -114.785 bonds (distance) P-C4' energy: -106.419 flat angles C4'-P-C4' energy: -129.657 flat angles P-C4'-P energy: -91.907 tors. eta vs tors. theta energy: -155.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1796.465550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.465550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.465550 (E_RNA) where: Base-Base interactions energy: -1251.928 where: short stacking energy: -496.467 Base-Backbone interact. energy: -1.400 local terms energy: -543.138269 where: bonds (distance) C4'-P energy: -88.126 bonds (distance) P-C4' energy: -107.303 flat angles C4'-P-C4' energy: -116.670 flat angles P-C4'-P energy: -78.614 tors. eta vs tors. theta energy: -152.426 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1607.147448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.147448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.147448 (E_RNA) where: Base-Base interactions energy: -1079.382 where: short stacking energy: -462.141 Base-Backbone interact. energy: 3.780 local terms energy: -531.544690 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -109.848 flat angles C4'-P-C4' energy: -119.259 flat angles P-C4'-P energy: -76.748 tors. eta vs tors. theta energy: -126.133 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: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1487.191237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.191237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.191237 (E_RNA) where: Base-Base interactions energy: -1009.211 where: short stacking energy: -422.868 Base-Backbone interact. energy: -1.856 local terms energy: -476.123991 where: bonds (distance) C4'-P energy: -95.783 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -111.039 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -103.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1341.484058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.484058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.484058 (E_RNA) where: Base-Base interactions energy: -879.769 where: short stacking energy: -396.587 Base-Backbone interact. energy: -1.230 local terms energy: -460.484960 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -92.917 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -69.716 tors. eta vs tors. theta energy: -96.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -954.023553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.023553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.023553 (E_RNA) where: Base-Base interactions energy: -557.242 where: short stacking energy: -263.394 Base-Backbone interact. energy: 5.169 local terms energy: -401.950220 where: bonds (distance) C4'-P energy: -104.293 bonds (distance) P-C4' energy: -108.519 flat angles C4'-P-C4' energy: -103.172 flat angles P-C4'-P energy: -52.921 tors. eta vs tors. theta energy: -33.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -2394.454526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.454526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.454526 (E_RNA) where: Base-Base interactions energy: -1692.075 where: short stacking energy: -681.408 Base-Backbone interact. energy: -2.805 local terms energy: -699.574355 where: bonds (distance) C4'-P energy: -125.878 bonds (distance) P-C4' energy: -114.603 flat angles C4'-P-C4' energy: -138.077 flat angles P-C4'-P energy: -108.642 tors. eta vs tors. theta energy: -212.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2268.826216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.826216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.826216 (E_RNA) where: Base-Base interactions energy: -1595.800 where: short stacking energy: -661.303 Base-Backbone interact. energy: -1.755 local terms energy: -671.271358 where: bonds (distance) C4'-P energy: -128.460 bonds (distance) P-C4' energy: -123.956 flat angles C4'-P-C4' energy: -140.502 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -196.895 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: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2164.090713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.090713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.090713 (E_RNA) where: Base-Base interactions energy: -1516.543 where: short stacking energy: -617.573 Base-Backbone interact. energy: 0.482 local terms energy: -648.030358 where: bonds (distance) C4'-P energy: -99.544 bonds (distance) P-C4' energy: -121.979 flat angles C4'-P-C4' energy: -136.720 flat angles P-C4'-P energy: -94.915 tors. eta vs tors. theta energy: -194.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2142.874953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.874953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.874953 (E_RNA) where: Base-Base interactions energy: -1500.915 where: short stacking energy: -619.866 Base-Backbone interact. energy: -4.166 local terms energy: -637.793481 where: bonds (distance) C4'-P energy: -118.906 bonds (distance) P-C4' energy: -107.023 flat angles C4'-P-C4' energy: -134.617 flat angles P-C4'-P energy: -85.372 tors. eta vs tors. theta energy: -191.875 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: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1995.143498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.143498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.143498 (E_RNA) where: Base-Base interactions energy: -1385.427 where: short stacking energy: -551.808 Base-Backbone interact. energy: -1.147 local terms energy: -608.569742 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -99.004 flat angles C4'-P-C4' energy: -130.526 flat angles P-C4'-P energy: -80.888 tors. eta vs tors. theta energy: -171.400 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: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1810.333540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.333540 (E_RNA) where: Base-Base interactions energy: -1272.667 where: short stacking energy: -509.336 Base-Backbone interact. energy: 2.025 local terms energy: -539.692062 where: bonds (distance) C4'-P energy: -84.158 bonds (distance) P-C4' energy: -113.919 flat angles C4'-P-C4' energy: -127.267 flat angles P-C4'-P energy: -71.900 tors. eta vs tors. theta energy: -142.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1586.997282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.997282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.997282 (E_RNA) where: Base-Base interactions energy: -1069.662 where: short stacking energy: -448.416 Base-Backbone interact. energy: 1.184 local terms energy: -518.519292 where: bonds (distance) C4'-P energy: -105.624 bonds (distance) P-C4' energy: -99.270 flat angles C4'-P-C4' energy: -115.206 flat angles P-C4'-P energy: -69.525 tors. eta vs tors. theta energy: -128.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1524.462255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.462255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.462255 (E_RNA) where: Base-Base interactions energy: -1011.086 where: short stacking energy: -430.013 Base-Backbone interact. energy: -1.263 local terms energy: -512.113599 where: bonds (distance) C4'-P energy: -96.762 bonds (distance) P-C4' energy: -115.821 flat angles C4'-P-C4' energy: -117.802 flat angles P-C4'-P energy: -74.441 tors. eta vs tors. theta energy: -107.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1330.029730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.029730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.029730 (E_RNA) where: Base-Base interactions energy: -875.444 where: short stacking energy: -374.622 Base-Backbone interact. energy: 3.445 local terms energy: -458.030719 where: bonds (distance) C4'-P energy: -97.377 bonds (distance) P-C4' energy: -101.435 flat angles C4'-P-C4' energy: -107.207 flat angles P-C4'-P energy: -61.419 tors. eta vs tors. theta energy: -90.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -951.947375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.947375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.947375 (E_RNA) where: Base-Base interactions energy: -553.586 where: short stacking energy: -262.757 Base-Backbone interact. energy: -1.860 local terms energy: -396.501461 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -96.564 flat angles C4'-P-C4' energy: -102.923 flat angles P-C4'-P energy: -48.164 tors. eta vs tors. theta energy: -52.054 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: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -2362.888499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.888499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.888499 (E_RNA) where: Base-Base interactions energy: -1661.673 where: short stacking energy: -661.489 Base-Backbone interact. energy: -1.547 local terms energy: -699.668410 where: bonds (distance) C4'-P energy: -125.650 bonds (distance) P-C4' energy: -119.864 flat angles C4'-P-C4' energy: -151.119 flat angles P-C4'-P energy: -91.421 tors. eta vs tors. theta energy: -211.614 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2282.050165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.050165 (E_RNA) where: Base-Base interactions energy: -1618.525 where: short stacking energy: -660.632 Base-Backbone interact. energy: 0.925 local terms energy: -664.450097 where: bonds (distance) C4'-P energy: -111.388 bonds (distance) P-C4' energy: -112.478 flat angles C4'-P-C4' energy: -147.324 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -201.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2207.612605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.612605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.612605 (E_RNA) where: Base-Base interactions energy: -1549.999 where: short stacking energy: -640.414 Base-Backbone interact. energy: -0.382 local terms energy: -657.230970 where: bonds (distance) C4'-P energy: -112.442 bonds (distance) P-C4' energy: -118.851 flat angles C4'-P-C4' energy: -144.884 flat angles P-C4'-P energy: -91.797 tors. eta vs tors. theta energy: -189.257 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2114.030755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.030755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.030755 (E_RNA) where: Base-Base interactions energy: -1486.238 where: short stacking energy: -585.761 Base-Backbone interact. energy: -2.464 local terms energy: -625.328625 where: bonds (distance) C4'-P energy: -98.149 bonds (distance) P-C4' energy: -129.287 flat angles C4'-P-C4' energy: -127.554 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -176.460 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: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1971.162057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.162057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.162057 (E_RNA) where: Base-Base interactions energy: -1375.566 where: short stacking energy: -547.507 Base-Backbone interact. energy: 0.048 local terms energy: -595.644019 where: bonds (distance) C4'-P energy: -108.126 bonds (distance) P-C4' energy: -114.142 flat angles C4'-P-C4' energy: -135.088 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -168.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1827.584265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.584265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.584265 (E_RNA) where: Base-Base interactions energy: -1262.304 where: short stacking energy: -513.573 Base-Backbone interact. energy: 0.559 local terms energy: -565.839533 where: bonds (distance) C4'-P energy: -110.576 bonds (distance) P-C4' energy: -115.756 flat angles C4'-P-C4' energy: -121.944 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -141.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1599.790195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.790195 (E_RNA) where: Base-Base interactions energy: -1074.407 where: short stacking energy: -470.487 Base-Backbone interact. energy: -0.422 local terms energy: -524.960899 where: bonds (distance) C4'-P energy: -98.207 bonds (distance) P-C4' energy: -100.553 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -86.184 tors. eta vs tors. theta energy: -130.593 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: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1505.456089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.456089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.456089 (E_RNA) where: Base-Base interactions energy: -999.922 where: short stacking energy: -415.531 Base-Backbone interact. energy: -1.081 local terms energy: -504.452920 where: bonds (distance) C4'-P energy: -107.898 bonds (distance) P-C4' energy: -109.021 flat angles C4'-P-C4' energy: -116.794 flat angles P-C4'-P energy: -65.281 tors. eta vs tors. theta energy: -105.459 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: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1335.136137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.136137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.136137 (E_RNA) where: Base-Base interactions energy: -906.409 where: short stacking energy: -396.365 Base-Backbone interact. energy: -0.340 local terms energy: -428.387466 where: bonds (distance) C4'-P energy: -95.233 bonds (distance) P-C4' energy: -98.531 flat angles C4'-P-C4' energy: -110.927 flat angles P-C4'-P energy: -39.995 tors. eta vs tors. theta energy: -83.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -871.895636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.895636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.895636 (E_RNA) where: Base-Base interactions energy: -505.429 where: short stacking energy: -230.181 Base-Backbone interact. energy: 6.586 local terms energy: -373.052043 where: bonds (distance) C4'-P energy: -97.143 bonds (distance) P-C4' energy: -93.199 flat angles C4'-P-C4' energy: -88.501 flat angles P-C4'-P energy: -70.727 tors. eta vs tors. theta energy: -23.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -2367.747589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.747589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.747589 (E_RNA) where: Base-Base interactions energy: -1676.329 where: short stacking energy: -675.211 Base-Backbone interact. energy: -1.901 local terms energy: -689.517022 where: bonds (distance) C4'-P energy: -124.962 bonds (distance) P-C4' energy: -118.081 flat angles C4'-P-C4' energy: -136.607 flat angles P-C4'-P energy: -103.991 tors. eta vs tors. theta energy: -205.876 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: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2263.993428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.993428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.993428 (E_RNA) where: Base-Base interactions energy: -1602.678 where: short stacking energy: -659.013 Base-Backbone interact. energy: -0.174 local terms energy: -661.142204 where: bonds (distance) C4'-P energy: -123.171 bonds (distance) P-C4' energy: -124.988 flat angles C4'-P-C4' energy: -132.586 flat angles P-C4'-P energy: -87.221 tors. eta vs tors. theta energy: -193.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2191.845534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.845534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.845534 (E_RNA) where: Base-Base interactions energy: -1547.138 where: short stacking energy: -631.005 Base-Backbone interact. energy: -0.441 local terms energy: -644.266004 where: bonds (distance) C4'-P energy: -105.871 bonds (distance) P-C4' energy: -115.783 flat angles C4'-P-C4' energy: -147.289 flat angles P-C4'-P energy: -91.018 tors. eta vs tors. theta energy: -184.305 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: 10 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2075.561105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.561105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.561105 (E_RNA) where: Base-Base interactions energy: -1453.156 where: short stacking energy: -579.524 Base-Backbone interact. energy: -4.780 local terms energy: -617.625265 where: bonds (distance) C4'-P energy: -98.909 bonds (distance) P-C4' energy: -122.326 flat angles C4'-P-C4' energy: -129.255 flat angles P-C4'-P energy: -98.541 tors. eta vs tors. theta energy: -168.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1966.186509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.186509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.186509 (E_RNA) where: Base-Base interactions energy: -1379.968 where: short stacking energy: -558.390 Base-Backbone interact. energy: -3.052 local terms energy: -583.166756 where: bonds (distance) C4'-P energy: -112.566 bonds (distance) P-C4' energy: -108.986 flat angles C4'-P-C4' energy: -122.718 flat angles P-C4'-P energy: -78.991 tors. eta vs tors. theta energy: -159.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1803.386689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.386689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.386689 (E_RNA) where: Base-Base interactions energy: -1233.390 where: short stacking energy: -495.919 Base-Backbone interact. energy: -3.350 local terms energy: -566.646594 where: bonds (distance) C4'-P energy: -92.685 bonds (distance) P-C4' energy: -118.441 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -159.763 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: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1612.930890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.930890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.930890 (E_RNA) where: Base-Base interactions energy: -1074.480 where: short stacking energy: -465.736 Base-Backbone interact. energy: 1.176 local terms energy: -539.626382 where: bonds (distance) C4'-P energy: -118.146 bonds (distance) P-C4' energy: -100.752 flat angles C4'-P-C4' energy: -113.843 flat angles P-C4'-P energy: -75.943 tors. eta vs tors. theta energy: -130.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1574.319789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.319789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.319789 (E_RNA) where: Base-Base interactions energy: -1080.995 where: short stacking energy: -469.455 Base-Backbone interact. energy: -0.823 local terms energy: -492.502281 where: bonds (distance) C4'-P energy: -100.243 bonds (distance) P-C4' energy: -102.183 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -68.241 tors. eta vs tors. theta energy: -120.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1306.314951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.314951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.314951 (E_RNA) where: Base-Base interactions energy: -864.016 where: short stacking energy: -349.178 Base-Backbone interact. energy: -0.562 local terms energy: -441.737257 where: bonds (distance) C4'-P energy: -112.846 bonds (distance) P-C4' energy: -94.866 flat angles C4'-P-C4' energy: -89.059 flat angles P-C4'-P energy: -73.288 tors. eta vs tors. theta energy: -71.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -894.205204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.205204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.205204 (E_RNA) where: Base-Base interactions energy: -517.831 where: short stacking energy: -255.170 Base-Backbone interact. energy: 3.134 local terms energy: -379.508215 where: bonds (distance) C4'-P energy: -87.213 bonds (distance) P-C4' energy: -89.871 flat angles C4'-P-C4' energy: -100.249 flat angles P-C4'-P energy: -71.362 tors. eta vs tors. theta energy: -30.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -2378.256644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.256644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.256644 (E_RNA) where: Base-Base interactions energy: -1674.749 where: short stacking energy: -688.650 Base-Backbone interact. energy: 0.341 local terms energy: -703.848635 where: bonds (distance) C4'-P energy: -130.304 bonds (distance) P-C4' energy: -116.094 flat angles C4'-P-C4' energy: -154.428 flat angles P-C4'-P energy: -99.088 tors. eta vs tors. theta energy: -203.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2265.927086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.927086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.927086 (E_RNA) where: Base-Base interactions energy: -1594.726 where: short stacking energy: -633.603 Base-Backbone interact. energy: -1.023 local terms energy: -670.177452 where: bonds (distance) C4'-P energy: -123.948 bonds (distance) P-C4' energy: -119.478 flat angles C4'-P-C4' energy: -128.919 flat angles P-C4'-P energy: -102.565 tors. eta vs tors. theta energy: -195.267 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: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2209.007708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.007708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.007708 (E_RNA) where: Base-Base interactions energy: -1566.455 where: short stacking energy: -639.108 Base-Backbone interact. energy: -0.881 local terms energy: -641.672357 where: bonds (distance) C4'-P energy: -110.247 bonds (distance) P-C4' energy: -109.298 flat angles C4'-P-C4' energy: -131.519 flat angles P-C4'-P energy: -98.336 tors. eta vs tors. theta energy: -192.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2102.187052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.187052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.187052 (E_RNA) where: Base-Base interactions energy: -1463.490 where: short stacking energy: -581.376 Base-Backbone interact. energy: -3.561 local terms energy: -635.136153 where: bonds (distance) C4'-P energy: -117.947 bonds (distance) P-C4' energy: -114.959 flat angles C4'-P-C4' energy: -129.509 flat angles P-C4'-P energy: -98.440 tors. eta vs tors. theta energy: -174.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1980.944187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.944187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.944187 (E_RNA) where: Base-Base interactions energy: -1388.454 where: short stacking energy: -557.628 Base-Backbone interact. energy: -0.935 local terms energy: -591.555238 where: bonds (distance) C4'-P energy: -102.371 bonds (distance) P-C4' energy: -103.404 flat angles C4'-P-C4' energy: -129.545 flat angles P-C4'-P energy: -96.844 tors. eta vs tors. theta energy: -159.393 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: 408 Temperature: 1.150000 Total energy: -1751.873361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.873361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.873361 (E_RNA) where: Base-Base interactions energy: -1191.023 where: short stacking energy: -495.387 Base-Backbone interact. energy: -2.860 local terms energy: -557.990798 where: bonds (distance) C4'-P energy: -108.183 bonds (distance) P-C4' energy: -103.765 flat angles C4'-P-C4' energy: -124.385 flat angles P-C4'-P energy: -76.927 tors. eta vs tors. theta energy: -144.730 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: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1613.155894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.155894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.155894 (E_RNA) where: Base-Base interactions energy: -1084.737 where: short stacking energy: -466.800 Base-Backbone interact. energy: -1.654 local terms energy: -526.765438 where: bonds (distance) C4'-P energy: -94.439 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -113.592 flat angles P-C4'-P energy: -72.234 tors. eta vs tors. theta energy: -143.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1545.067319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.067319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.067319 (E_RNA) where: Base-Base interactions energy: -1064.070 where: short stacking energy: -441.600 Base-Backbone interact. energy: 3.041 local terms energy: -484.038600 where: bonds (distance) C4'-P energy: -112.553 bonds (distance) P-C4' energy: -92.892 flat angles C4'-P-C4' energy: -99.164 flat angles P-C4'-P energy: -65.771 tors. eta vs tors. theta energy: -113.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1281.245860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.245860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.245860 (E_RNA) where: Base-Base interactions energy: -824.641 where: short stacking energy: -348.471 Base-Backbone interact. energy: 5.545 local terms energy: -462.149900 where: bonds (distance) C4'-P energy: -109.509 bonds (distance) P-C4' energy: -90.682 flat angles C4'-P-C4' energy: -99.570 flat angles P-C4'-P energy: -71.524 tors. eta vs tors. theta energy: -90.865 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: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -860.246166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.246166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.246166 (E_RNA) where: Base-Base interactions energy: -455.846 where: short stacking energy: -246.477 Base-Backbone interact. energy: -3.228 local terms energy: -401.172029 where: bonds (distance) C4'-P energy: -105.226 bonds (distance) P-C4' energy: -96.122 flat angles C4'-P-C4' energy: -101.121 flat angles P-C4'-P energy: -62.446 tors. eta vs tors. theta energy: -36.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -2396.764979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.764979 (E_RNA) where: Base-Base interactions energy: -1683.868 where: short stacking energy: -677.761 Base-Backbone interact. energy: -2.984 local terms energy: -709.913416 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -127.429 flat angles C4'-P-C4' energy: -141.244 flat angles P-C4'-P energy: -104.203 tors. eta vs tors. theta energy: -207.048 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: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -2264.901025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.901025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.901025 (E_RNA) where: Base-Base interactions energy: -1602.431 where: short stacking energy: -640.581 Base-Backbone interact. energy: -2.798 local terms energy: -659.672368 where: bonds (distance) C4'-P energy: -119.206 bonds (distance) P-C4' energy: -111.526 flat angles C4'-P-C4' energy: -134.376 flat angles P-C4'-P energy: -96.819 tors. eta vs tors. theta energy: -197.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2188.637646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.637646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.637646 (E_RNA) where: Base-Base interactions energy: -1534.405 where: short stacking energy: -639.386 Base-Backbone interact. energy: -2.081 local terms energy: -652.151561 where: bonds (distance) C4'-P energy: -115.762 bonds (distance) P-C4' energy: -120.089 flat angles C4'-P-C4' energy: -135.470 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -192.350 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: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2092.073677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.073677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.073677 (E_RNA) where: Base-Base interactions energy: -1466.864 where: short stacking energy: -591.386 Base-Backbone interact. energy: -1.214 local terms energy: -623.995635 where: bonds (distance) C4'-P energy: -109.630 bonds (distance) P-C4' energy: -114.754 flat angles C4'-P-C4' energy: -129.149 flat angles P-C4'-P energy: -94.971 tors. eta vs tors. theta energy: -175.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1974.243277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.243277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.243277 (E_RNA) where: Base-Base interactions energy: -1341.899 where: short stacking energy: -558.617 Base-Backbone interact. energy: 1.303 local terms energy: -633.647949 where: bonds (distance) C4'-P energy: -105.888 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -139.570 flat angles P-C4'-P energy: -92.177 tors. eta vs tors. theta energy: -168.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1754.999161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.999161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.999161 (E_RNA) where: Base-Base interactions energy: -1221.565 where: short stacking energy: -508.231 Base-Backbone interact. energy: 3.937 local terms energy: -537.370837 where: bonds (distance) C4'-P energy: -100.105 bonds (distance) P-C4' energy: -93.590 flat angles C4'-P-C4' energy: -124.366 flat angles P-C4'-P energy: -73.581 tors. eta vs tors. theta energy: -145.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1579.162836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.162836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.162836 (E_RNA) where: Base-Base interactions energy: -1069.842 where: short stacking energy: -468.832 Base-Backbone interact. energy: 3.133 local terms energy: -512.453976 where: bonds (distance) C4'-P energy: -89.079 bonds (distance) P-C4' energy: -94.915 flat angles C4'-P-C4' energy: -127.014 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -120.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1534.475242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.475242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.475242 (E_RNA) where: Base-Base interactions energy: -1048.234 where: short stacking energy: -457.611 Base-Backbone interact. energy: -0.055 local terms energy: -486.186967 where: bonds (distance) C4'-P energy: -80.164 bonds (distance) P-C4' energy: -91.903 flat angles C4'-P-C4' energy: -112.157 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: -116.163 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: 7 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1311.806326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.806326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.806326 (E_RNA) where: Base-Base interactions energy: -840.379 where: short stacking energy: -352.713 Base-Backbone interact. energy: -0.145 local terms energy: -471.281902 where: bonds (distance) C4'-P energy: -112.426 bonds (distance) P-C4' energy: -109.914 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -71.596 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: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -818.626072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.626072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.626072 (E_RNA) where: Base-Base interactions energy: -450.801 where: short stacking energy: -217.909 Base-Backbone interact. energy: -0.188 local terms energy: -367.637219 where: bonds (distance) C4'-P energy: -100.000 bonds (distance) P-C4' energy: -101.398 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -14.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -2357.931203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.931203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.931203 (E_RNA) where: Base-Base interactions energy: -1665.927 where: short stacking energy: -658.805 Base-Backbone interact. energy: 1.043 local terms energy: -693.047298 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -123.908 flat angles C4'-P-C4' energy: -135.596 flat angles P-C4'-P energy: -104.582 tors. eta vs tors. theta energy: -203.569 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: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2246.346400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.346400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.346400 (E_RNA) where: Base-Base interactions energy: -1599.928 where: short stacking energy: -641.731 Base-Backbone interact. energy: -0.888 local terms energy: -645.530295 where: bonds (distance) C4'-P energy: -116.325 bonds (distance) P-C4' energy: -112.808 flat angles C4'-P-C4' energy: -134.590 flat angles P-C4'-P energy: -92.708 tors. eta vs tors. theta energy: -189.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2165.186885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.186885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.186885 (E_RNA) where: Base-Base interactions energy: -1519.207 where: short stacking energy: -600.678 Base-Backbone interact. energy: -1.161 local terms energy: -644.818571 where: bonds (distance) C4'-P energy: -99.668 bonds (distance) P-C4' energy: -130.859 flat angles C4'-P-C4' energy: -134.205 flat angles P-C4'-P energy: -98.087 tors. eta vs tors. theta energy: -181.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2131.834532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.834532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.834532 (E_RNA) where: Base-Base interactions energy: -1484.390 where: short stacking energy: -618.531 Base-Backbone interact. energy: 0.445 local terms energy: -647.889369 where: bonds (distance) C4'-P energy: -127.137 bonds (distance) P-C4' energy: -123.450 flat angles C4'-P-C4' energy: -126.742 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -182.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1968.323518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.323518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.323518 (E_RNA) where: Base-Base interactions energy: -1358.085 where: short stacking energy: -555.625 Base-Backbone interact. energy: -0.670 local terms energy: -609.567715 where: bonds (distance) C4'-P energy: -110.473 bonds (distance) P-C4' energy: -104.981 flat angles C4'-P-C4' energy: -141.470 flat angles P-C4'-P energy: -96.681 tors. eta vs tors. theta energy: -155.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1749.328204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.328204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.328204 (E_RNA) where: Base-Base interactions energy: -1203.616 where: short stacking energy: -480.742 Base-Backbone interact. energy: -1.255 local terms energy: -544.456583 where: bonds (distance) C4'-P energy: -116.459 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -123.789 flat angles P-C4'-P energy: -69.826 tors. eta vs tors. theta energy: -139.989 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: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1636.931236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.931236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.931236 (E_RNA) where: Base-Base interactions energy: -1108.611 where: short stacking energy: -458.534 Base-Backbone interact. energy: -0.558 local terms energy: -527.762158 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -127.301 flat angles C4'-P-C4' energy: -126.454 flat angles P-C4'-P energy: -73.051 tors. eta vs tors. theta energy: -112.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1499.202163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.202163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.202163 (E_RNA) where: Base-Base interactions energy: -970.256 where: short stacking energy: -413.280 Base-Backbone interact. energy: -2.281 local terms energy: -526.664367 where: bonds (distance) C4'-P energy: -104.857 bonds (distance) P-C4' energy: -105.055 flat angles C4'-P-C4' energy: -127.860 flat angles P-C4'-P energy: -73.744 tors. eta vs tors. theta energy: -115.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1245.249546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.249546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.249546 (E_RNA) where: Base-Base interactions energy: -824.680 where: short stacking energy: -344.408 Base-Backbone interact. energy: 0.496 local terms energy: -421.064695 where: bonds (distance) C4'-P energy: -77.938 bonds (distance) P-C4' energy: -106.282 flat angles C4'-P-C4' energy: -109.610 flat angles P-C4'-P energy: -58.637 tors. eta vs tors. theta energy: -68.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -818.161890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.161890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.161890 (E_RNA) where: Base-Base interactions energy: -446.724 where: short stacking energy: -227.735 Base-Backbone interact. energy: -0.295 local terms energy: -371.143143 where: bonds (distance) C4'-P energy: -114.144 bonds (distance) P-C4' energy: -85.630 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -54.894 tors. eta vs tors. theta energy: -17.375 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: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -2370.087530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.087530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.087530 (E_RNA) where: Base-Base interactions energy: -1685.901 where: short stacking energy: -692.101 Base-Backbone interact. energy: -4.537 local terms energy: -679.650189 where: bonds (distance) C4'-P energy: -113.503 bonds (distance) P-C4' energy: -113.611 flat angles C4'-P-C4' energy: -148.092 flat angles P-C4'-P energy: -93.752 tors. eta vs tors. theta energy: -210.692 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: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2270.129911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.129911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.129911 (E_RNA) where: Base-Base interactions energy: -1596.904 where: short stacking energy: -653.516 Base-Backbone interact. energy: -2.290 local terms energy: -670.935099 where: bonds (distance) C4'-P energy: -120.290 bonds (distance) P-C4' energy: -123.920 flat angles C4'-P-C4' energy: -143.011 flat angles P-C4'-P energy: -92.061 tors. eta vs tors. theta energy: -191.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2201.058905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.058905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.058905 (E_RNA) where: Base-Base interactions energy: -1558.045 where: short stacking energy: -629.084 Base-Backbone interact. energy: -2.335 local terms energy: -640.678707 where: bonds (distance) C4'-P energy: -113.863 bonds (distance) P-C4' energy: -117.024 flat angles C4'-P-C4' energy: -136.462 flat angles P-C4'-P energy: -90.410 tors. eta vs tors. theta energy: -182.920 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: 4, replica: 9 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2134.772409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.772409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.772409 (E_RNA) where: Base-Base interactions energy: -1489.665 where: short stacking energy: -584.122 Base-Backbone interact. energy: 0.496 local terms energy: -645.603228 where: bonds (distance) C4'-P energy: -126.824 bonds (distance) P-C4' energy: -125.375 flat angles C4'-P-C4' energy: -124.651 flat angles P-C4'-P energy: -91.758 tors. eta vs tors. theta energy: -176.994 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: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1941.859526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.859526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.859526 (E_RNA) where: Base-Base interactions energy: -1347.821 where: short stacking energy: -559.771 Base-Backbone interact. energy: -1.522 local terms energy: -592.517088 where: bonds (distance) C4'-P energy: -106.527 bonds (distance) P-C4' energy: -106.985 flat angles C4'-P-C4' energy: -129.689 flat angles P-C4'-P energy: -85.858 tors. eta vs tors. theta energy: -163.458 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: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1811.154656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.154656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.154656 (E_RNA) where: Base-Base interactions energy: -1264.006 where: short stacking energy: -500.736 Base-Backbone interact. energy: -0.897 local terms energy: -546.251617 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -109.356 flat angles C4'-P-C4' energy: -125.451 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -143.979 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: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1651.827164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.827164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.827164 (E_RNA) where: Base-Base interactions energy: -1109.678 where: short stacking energy: -464.132 Base-Backbone interact. energy: -0.918 local terms energy: -541.230520 where: bonds (distance) C4'-P energy: -90.950 bonds (distance) P-C4' energy: -119.393 flat angles C4'-P-C4' energy: -114.938 flat angles P-C4'-P energy: -88.403 tors. eta vs tors. theta energy: -127.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1519.817383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.817383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.817383 (E_RNA) where: Base-Base interactions energy: -1019.922 where: short stacking energy: -424.295 Base-Backbone interact. energy: 5.945 local terms energy: -505.841217 where: bonds (distance) C4'-P energy: -114.469 bonds (distance) P-C4' energy: -90.588 flat angles C4'-P-C4' energy: -116.144 flat angles P-C4'-P energy: -73.768 tors. eta vs tors. theta energy: -110.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1189.833246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.833246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.833246 (E_RNA) where: Base-Base interactions energy: -785.708 where: short stacking energy: -342.269 Base-Backbone interact. energy: 1.224 local terms energy: -405.349931 where: bonds (distance) C4'-P energy: -89.507 bonds (distance) P-C4' energy: -79.142 flat angles C4'-P-C4' energy: -97.454 flat angles P-C4'-P energy: -67.841 tors. eta vs tors. theta energy: -71.406 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: 3 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -849.743162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.743162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.743162 (E_RNA) where: Base-Base interactions energy: -473.395 where: short stacking energy: -233.946 Base-Backbone interact. energy: 2.828 local terms energy: -379.176117 where: bonds (distance) C4'-P energy: -105.857 bonds (distance) P-C4' energy: -107.597 flat angles C4'-P-C4' energy: -85.906 flat angles P-C4'-P energy: -67.801 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -2386.564645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.564645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.564645 (E_RNA) where: Base-Base interactions energy: -1671.672 where: short stacking energy: -655.678 Base-Backbone interact. energy: -2.524 local terms energy: -712.367979 where: bonds (distance) C4'-P energy: -131.409 bonds (distance) P-C4' energy: -113.312 flat angles C4'-P-C4' energy: -150.510 flat angles P-C4'-P energy: -100.537 tors. eta vs tors. theta energy: -216.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2265.971395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.971395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.971395 (E_RNA) where: Base-Base interactions energy: -1583.328 where: short stacking energy: -643.154 Base-Backbone interact. energy: -2.049 local terms energy: -680.594490 where: bonds (distance) C4'-P energy: -129.616 bonds (distance) P-C4' energy: -111.962 flat angles C4'-P-C4' energy: -136.204 flat angles P-C4'-P energy: -111.844 tors. eta vs tors. theta energy: -190.968 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: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2184.848309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.848309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.848309 (E_RNA) where: Base-Base interactions energy: -1510.747 where: short stacking energy: -614.500 Base-Backbone interact. energy: -3.657 local terms energy: -670.444230 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -116.006 flat angles C4'-P-C4' energy: -138.203 flat angles P-C4'-P energy: -95.353 tors. eta vs tors. theta energy: -192.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2163.602597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.602597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.602597 (E_RNA) where: Base-Base interactions energy: -1534.350 where: short stacking energy: -621.513 Base-Backbone interact. energy: 0.815 local terms energy: -630.067308 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -116.343 flat angles C4'-P-C4' energy: -140.683 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -182.139 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1914.238576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.238576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.238576 (E_RNA) where: Base-Base interactions energy: -1319.463 where: short stacking energy: -548.070 Base-Backbone interact. energy: -0.397 local terms energy: -594.377959 where: bonds (distance) C4'-P energy: -97.106 bonds (distance) P-C4' energy: -118.773 flat angles C4'-P-C4' energy: -130.194 flat angles P-C4'-P energy: -94.600 tors. eta vs tors. theta energy: -153.705 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: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1775.427402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.427402 (E_RNA) where: Base-Base interactions energy: -1213.339 where: short stacking energy: -484.209 Base-Backbone interact. energy: -1.658 local terms energy: -560.430078 where: bonds (distance) C4'-P energy: -118.507 bonds (distance) P-C4' energy: -97.468 flat angles C4'-P-C4' energy: -117.336 flat angles P-C4'-P energy: -79.043 tors. eta vs tors. theta energy: -148.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1626.011919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.011919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.011919 (E_RNA) where: Base-Base interactions energy: -1105.800 where: short stacking energy: -474.613 Base-Backbone interact. energy: 0.638 local terms energy: -520.849652 where: bonds (distance) C4'-P energy: -93.964 bonds (distance) P-C4' energy: -105.397 flat angles C4'-P-C4' energy: -116.861 flat angles P-C4'-P energy: -64.490 tors. eta vs tors. theta energy: -140.137 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: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1530.318615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.318615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.318615 (E_RNA) where: Base-Base interactions energy: -1032.367 where: short stacking energy: -436.136 Base-Backbone interact. energy: -0.075 local terms energy: -497.876225 where: bonds (distance) C4'-P energy: -95.665 bonds (distance) P-C4' energy: -98.658 flat angles C4'-P-C4' energy: -116.594 flat angles P-C4'-P energy: -67.105 tors. eta vs tors. theta energy: -119.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1209.969062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.969062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.969062 (E_RNA) where: Base-Base interactions energy: -757.261 where: short stacking energy: -338.983 Base-Backbone interact. energy: -1.005 local terms energy: -451.703002 where: bonds (distance) C4'-P energy: -82.438 bonds (distance) P-C4' energy: -118.256 flat angles C4'-P-C4' energy: -112.215 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -63.464 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: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -827.480313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.480313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.480313 (E_RNA) where: Base-Base interactions energy: -490.026 where: short stacking energy: -255.231 Base-Backbone interact. energy: 4.663 local terms energy: -342.117191 where: bonds (distance) C4'-P energy: -93.290 bonds (distance) P-C4' energy: -102.688 flat angles C4'-P-C4' energy: -84.219 flat angles P-C4'-P energy: -22.927 tors. eta vs tors. theta energy: -38.993 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: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -2390.936127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.936127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.936127 (E_RNA) where: Base-Base interactions energy: -1671.259 where: short stacking energy: -682.569 Base-Backbone interact. energy: -0.120 local terms energy: -719.557527 where: bonds (distance) C4'-P energy: -121.224 bonds (distance) P-C4' energy: -126.552 flat angles C4'-P-C4' energy: -149.608 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -210.183 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: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2251.464670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.464670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.464670 (E_RNA) where: Base-Base interactions energy: -1585.080 where: short stacking energy: -650.612 Base-Backbone interact. energy: -0.719 local terms energy: -665.665589 where: bonds (distance) C4'-P energy: -117.998 bonds (distance) P-C4' energy: -118.270 flat angles C4'-P-C4' energy: -135.819 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -194.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2163.085280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.085280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.085280 (E_RNA) where: Base-Base interactions energy: -1492.771 where: short stacking energy: -611.226 Base-Backbone interact. energy: -2.474 local terms energy: -667.840051 where: bonds (distance) C4'-P energy: -110.560 bonds (distance) P-C4' energy: -117.242 flat angles C4'-P-C4' energy: -147.943 flat angles P-C4'-P energy: -100.105 tors. eta vs tors. theta energy: -191.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2098.543153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.543153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.543153 (E_RNA) where: Base-Base interactions energy: -1465.178 where: short stacking energy: -579.943 Base-Backbone interact. energy: -3.131 local terms energy: -630.233999 where: bonds (distance) C4'-P energy: -121.389 bonds (distance) P-C4' energy: -99.753 flat angles C4'-P-C4' energy: -132.492 flat angles P-C4'-P energy: -92.887 tors. eta vs tors. theta energy: -183.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1942.385067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.385067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.385067 (E_RNA) where: Base-Base interactions energy: -1314.456 where: short stacking energy: -550.800 Base-Backbone interact. energy: -2.905 local terms energy: -625.024190 where: bonds (distance) C4'-P energy: -115.214 bonds (distance) P-C4' energy: -117.786 flat angles C4'-P-C4' energy: -133.622 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: -175.162 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: 2 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1783.297073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.297073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.297073 (E_RNA) where: Base-Base interactions energy: -1233.753 where: short stacking energy: -503.299 Base-Backbone interact. energy: -2.138 local terms energy: -547.406685 where: bonds (distance) C4'-P energy: -107.028 bonds (distance) P-C4' energy: -109.684 flat angles C4'-P-C4' energy: -111.871 flat angles P-C4'-P energy: -66.520 tors. eta vs tors. theta energy: -152.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1592.531216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.531216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.531216 (E_RNA) where: Base-Base interactions energy: -1057.374 where: short stacking energy: -451.952 Base-Backbone interact. energy: 7.056 local terms energy: -542.213743 where: bonds (distance) C4'-P energy: -95.841 bonds (distance) P-C4' energy: -114.741 flat angles C4'-P-C4' energy: -130.324 flat angles P-C4'-P energy: -83.857 tors. eta vs tors. theta energy: -117.451 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: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1550.825481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.825481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.825481 (E_RNA) where: Base-Base interactions energy: -1052.334 where: short stacking energy: -449.721 Base-Backbone interact. energy: 2.340 local terms energy: -500.830834 where: bonds (distance) C4'-P energy: -81.236 bonds (distance) P-C4' energy: -123.167 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -62.598 tors. eta vs tors. theta energy: -121.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1232.040291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.040291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.040291 (E_RNA) where: Base-Base interactions energy: -786.148 where: short stacking energy: -365.214 Base-Backbone interact. energy: -0.975 local terms energy: -444.916324 where: bonds (distance) C4'-P energy: -92.407 bonds (distance) P-C4' energy: -116.336 flat angles C4'-P-C4' energy: -96.228 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -78.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -866.087823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.087823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.087823 (E_RNA) where: Base-Base interactions energy: -514.529 where: short stacking energy: -255.027 Base-Backbone interact. energy: 1.998 local terms energy: -353.556845 where: bonds (distance) C4'-P energy: -77.965 bonds (distance) P-C4' energy: -96.430 flat angles C4'-P-C4' energy: -99.139 flat angles P-C4'-P energy: -50.962 tors. eta vs tors. theta energy: -29.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -2377.203503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.203503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.203503 (E_RNA) where: Base-Base interactions energy: -1659.357 where: short stacking energy: -673.332 Base-Backbone interact. energy: -2.866 local terms energy: -714.980120 where: bonds (distance) C4'-P energy: -132.958 bonds (distance) P-C4' energy: -120.683 flat angles C4'-P-C4' energy: -139.841 flat angles P-C4'-P energy: -115.773 tors. eta vs tors. theta energy: -205.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2259.815636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.815636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.815636 (E_RNA) where: Base-Base interactions energy: -1599.710 where: short stacking energy: -632.774 Base-Backbone interact. energy: -1.701 local terms energy: -658.405069 where: bonds (distance) C4'-P energy: -116.652 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -135.867 flat angles P-C4'-P energy: -97.122 tors. eta vs tors. theta energy: -193.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2145.723345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.723345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.723345 (E_RNA) where: Base-Base interactions energy: -1509.269 where: short stacking energy: -605.228 Base-Backbone interact. energy: -3.389 local terms energy: -633.065120 where: bonds (distance) C4'-P energy: -116.853 bonds (distance) P-C4' energy: -100.001 flat angles C4'-P-C4' energy: -130.690 flat angles P-C4'-P energy: -105.658 tors. eta vs tors. theta energy: -179.863 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: 9 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2129.453693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.453693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.453693 (E_RNA) where: Base-Base interactions energy: -1489.704 where: short stacking energy: -605.099 Base-Backbone interact. energy: -1.598 local terms energy: -638.151927 where: bonds (distance) C4'-P energy: -116.116 bonds (distance) P-C4' energy: -107.899 flat angles C4'-P-C4' energy: -135.916 flat angles P-C4'-P energy: -91.214 tors. eta vs tors. theta energy: -187.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1982.040731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.040731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.040731 (E_RNA) where: Base-Base interactions energy: -1363.616 where: short stacking energy: -565.844 Base-Backbone interact. energy: -1.876 local terms energy: -616.548566 where: bonds (distance) C4'-P energy: -113.560 bonds (distance) P-C4' energy: -111.013 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -88.752 tors. eta vs tors. theta energy: -177.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1758.637472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.637472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.637472 (E_RNA) where: Base-Base interactions energy: -1218.574 where: short stacking energy: -493.581 Base-Backbone interact. energy: -1.021 local terms energy: -539.042516 where: bonds (distance) C4'-P energy: -109.940 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -117.136 flat angles P-C4'-P energy: -78.801 tors. eta vs tors. theta energy: -137.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1586.977660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.977660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.977660 (E_RNA) where: Base-Base interactions energy: -1076.209 where: short stacking energy: -480.130 Base-Backbone interact. energy: 1.977 local terms energy: -512.745005 where: bonds (distance) C4'-P energy: -90.454 bonds (distance) P-C4' energy: -105.209 flat angles C4'-P-C4' energy: -111.981 flat angles P-C4'-P energy: -70.551 tors. eta vs tors. theta energy: -134.549 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: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1469.346768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.346768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.346768 (E_RNA) where: Base-Base interactions energy: -972.845 where: short stacking energy: -392.888 Base-Backbone interact. energy: 0.493 local terms energy: -496.994773 where: bonds (distance) C4'-P energy: -100.784 bonds (distance) P-C4' energy: -97.640 flat angles C4'-P-C4' energy: -120.562 flat angles P-C4'-P energy: -77.828 tors. eta vs tors. theta energy: -100.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1213.208290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.208290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.208290 (E_RNA) where: Base-Base interactions energy: -762.114 where: short stacking energy: -329.664 Base-Backbone interact. energy: -0.036 local terms energy: -451.058855 where: bonds (distance) C4'-P energy: -107.292 bonds (distance) P-C4' energy: -112.124 flat angles C4'-P-C4' energy: -101.612 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -67.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -822.340700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.340700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.340700 (E_RNA) where: Base-Base interactions energy: -459.068 where: short stacking energy: -224.772 Base-Backbone interact. energy: -0.053 local terms energy: -363.219759 where: bonds (distance) C4'-P energy: -104.486 bonds (distance) P-C4' energy: -111.798 flat angles C4'-P-C4' energy: -80.485 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -2368.318393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.318393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.318393 (E_RNA) where: Base-Base interactions energy: -1666.225 where: short stacking energy: -671.872 Base-Backbone interact. energy: -2.835 local terms energy: -699.257989 where: bonds (distance) C4'-P energy: -121.812 bonds (distance) P-C4' energy: -123.426 flat angles C4'-P-C4' energy: -145.145 flat angles P-C4'-P energy: -99.009 tors. eta vs tors. theta energy: -209.866 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2238.085557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.085557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.085557 (E_RNA) where: Base-Base interactions energy: -1586.720 where: short stacking energy: -629.877 Base-Backbone interact. energy: 3.076 local terms energy: -654.441593 where: bonds (distance) C4'-P energy: -115.574 bonds (distance) P-C4' energy: -113.506 flat angles C4'-P-C4' energy: -134.069 flat angles P-C4'-P energy: -96.768 tors. eta vs tors. theta energy: -194.525 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: 10 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2137.267566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.267566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.267566 (E_RNA) where: Base-Base interactions energy: -1488.824 where: short stacking energy: -573.316 Base-Backbone interact. energy: -6.474 local terms energy: -641.968741 where: bonds (distance) C4'-P energy: -121.275 bonds (distance) P-C4' energy: -113.008 flat angles C4'-P-C4' energy: -133.214 flat angles P-C4'-P energy: -87.212 tors. eta vs tors. theta energy: -187.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2119.101618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.101618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.101618 (E_RNA) where: Base-Base interactions energy: -1485.223 where: short stacking energy: -602.908 Base-Backbone interact. energy: -2.313 local terms energy: -631.565154 where: bonds (distance) C4'-P energy: -105.064 bonds (distance) P-C4' energy: -117.193 flat angles C4'-P-C4' energy: -131.147 flat angles P-C4'-P energy: -97.627 tors. eta vs tors. theta energy: -180.535 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: 415 Temperature: 1.100000 Total energy: -1991.541354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.541354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.541354 (E_RNA) where: Base-Base interactions energy: -1396.226 where: short stacking energy: -585.368 Base-Backbone interact. energy: -1.254 local terms energy: -594.061007 where: bonds (distance) C4'-P energy: -111.567 bonds (distance) P-C4' energy: -109.995 flat angles C4'-P-C4' energy: -127.981 flat angles P-C4'-P energy: -75.175 tors. eta vs tors. theta energy: -169.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1786.724178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.724178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.724178 (E_RNA) where: Base-Base interactions energy: -1227.032 where: short stacking energy: -514.407 Base-Backbone interact. energy: -0.931 local terms energy: -558.761548 where: bonds (distance) C4'-P energy: -105.051 bonds (distance) P-C4' energy: -106.883 flat angles C4'-P-C4' energy: -121.217 flat angles P-C4'-P energy: -69.966 tors. eta vs tors. theta energy: -155.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1619.599580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.599580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.599580 (E_RNA) where: Base-Base interactions energy: -1100.702 where: short stacking energy: -476.683 Base-Backbone interact. energy: -0.239 local terms energy: -518.658105 where: bonds (distance) C4'-P energy: -99.721 bonds (distance) P-C4' energy: -102.184 flat angles C4'-P-C4' energy: -115.172 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -128.399 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: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1464.526993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.526993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.526993 (E_RNA) where: Base-Base interactions energy: -982.905 where: short stacking energy: -422.495 Base-Backbone interact. energy: 1.118 local terms energy: -482.739954 where: bonds (distance) C4'-P energy: -104.149 bonds (distance) P-C4' energy: -108.591 flat angles C4'-P-C4' energy: -102.010 flat angles P-C4'-P energy: -66.924 tors. eta vs tors. theta energy: -101.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1211.380662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.380662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.380662 (E_RNA) where: Base-Base interactions energy: -749.149 where: short stacking energy: -332.278 Base-Backbone interact. energy: 1.884 local terms energy: -464.115274 where: bonds (distance) C4'-P energy: -109.255 bonds (distance) P-C4' energy: -116.259 flat angles C4'-P-C4' energy: -89.555 flat angles P-C4'-P energy: -78.997 tors. eta vs tors. theta energy: -70.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -826.477649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.477649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.477649 (E_RNA) where: Base-Base interactions energy: -464.517 where: short stacking energy: -242.398 Base-Backbone interact. energy: 0.397 local terms energy: -362.357628 where: bonds (distance) C4'-P energy: -93.406 bonds (distance) P-C4' energy: -97.956 flat angles C4'-P-C4' energy: -83.745 flat angles P-C4'-P energy: -64.948 tors. eta vs tors. theta energy: -22.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -2372.296444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.296444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.296444 (E_RNA) where: Base-Base interactions energy: -1661.615 where: short stacking energy: -667.726 Base-Backbone interact. energy: -1.498 local terms energy: -709.184124 where: bonds (distance) C4'-P energy: -130.872 bonds (distance) P-C4' energy: -128.176 flat angles C4'-P-C4' energy: -149.972 flat angles P-C4'-P energy: -97.738 tors. eta vs tors. theta energy: -202.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2253.178540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.178540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.178540 (E_RNA) where: Base-Base interactions energy: -1590.440 where: short stacking energy: -616.997 Base-Backbone interact. energy: -2.253 local terms energy: -660.485113 where: bonds (distance) C4'-P energy: -123.367 bonds (distance) P-C4' energy: -122.197 flat angles C4'-P-C4' energy: -136.488 flat angles P-C4'-P energy: -93.885 tors. eta vs tors. theta energy: -184.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2181.198934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2181.198934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2181.198934 (E_RNA) where: Base-Base interactions energy: -1545.781 where: short stacking energy: -626.077 Base-Backbone interact. energy: -2.144 local terms energy: -633.273721 where: bonds (distance) C4'-P energy: -94.865 bonds (distance) P-C4' energy: -115.534 flat angles C4'-P-C4' energy: -146.577 flat angles P-C4'-P energy: -93.826 tors. eta vs tors. theta energy: -182.472 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: 10 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2132.899359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.899359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.899359 (E_RNA) where: Base-Base interactions energy: -1489.117 where: short stacking energy: -615.813 Base-Backbone interact. energy: -2.979 local terms energy: -640.803890 where: bonds (distance) C4'-P energy: -113.964 bonds (distance) P-C4' energy: -113.742 flat angles C4'-P-C4' energy: -133.555 flat angles P-C4'-P energy: -89.474 tors. eta vs tors. theta energy: -190.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2016.585636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.585636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.585636 (E_RNA) where: Base-Base interactions energy: -1419.788 where: short stacking energy: -570.923 Base-Backbone interact. energy: -0.059 local terms energy: -596.739471 where: bonds (distance) C4'-P energy: -107.019 bonds (distance) P-C4' energy: -107.026 flat angles C4'-P-C4' energy: -132.554 flat angles P-C4'-P energy: -83.649 tors. eta vs tors. theta energy: -166.492 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: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1782.318906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.318906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.318906 (E_RNA) where: Base-Base interactions energy: -1238.610 where: short stacking energy: -489.539 Base-Backbone interact. energy: -1.282 local terms energy: -542.426097 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -102.718 flat angles C4'-P-C4' energy: -116.860 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -145.486 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: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1603.192250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.192250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.192250 (E_RNA) where: Base-Base interactions energy: -1065.300 where: short stacking energy: -486.983 Base-Backbone interact. energy: -3.613 local terms energy: -534.278979 where: bonds (distance) C4'-P energy: -95.185 bonds (distance) P-C4' energy: -105.820 flat angles C4'-P-C4' energy: -118.549 flat angles P-C4'-P energy: -78.246 tors. eta vs tors. theta energy: -136.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1496.446759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.446759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.446759 (E_RNA) where: Base-Base interactions energy: -988.867 where: short stacking energy: -419.764 Base-Backbone interact. energy: 0.721 local terms energy: -508.301500 where: bonds (distance) C4'-P energy: -108.163 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -111.488 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -101.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1165.743916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.743916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.743916 (E_RNA) where: Base-Base interactions energy: -756.223 where: short stacking energy: -318.702 Base-Backbone interact. energy: -1.492 local terms energy: -408.028800 where: bonds (distance) C4'-P energy: -96.284 bonds (distance) P-C4' energy: -91.439 flat angles C4'-P-C4' energy: -91.130 flat angles P-C4'-P energy: -73.392 tors. eta vs tors. theta energy: -55.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -826.862714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.862714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.862714 (E_RNA) where: Base-Base interactions energy: -443.268 where: short stacking energy: -214.348 Base-Backbone interact. energy: 1.979 local terms energy: -385.573929 where: bonds (distance) C4'-P energy: -112.118 bonds (distance) P-C4' energy: -102.399 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -61.271 tors. eta vs tors. theta energy: -15.624 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: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -2371.278088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.278088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.278088 (E_RNA) where: Base-Base interactions energy: -1666.559 where: short stacking energy: -650.205 Base-Backbone interact. energy: -2.467 local terms energy: -702.251601 where: bonds (distance) C4'-P energy: -117.075 bonds (distance) P-C4' energy: -115.698 flat angles C4'-P-C4' energy: -147.622 flat angles P-C4'-P energy: -111.311 tors. eta vs tors. theta energy: -210.546 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2276.146257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.146257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.146257 (E_RNA) where: Base-Base interactions energy: -1595.513 where: short stacking energy: -657.201 Base-Backbone interact. energy: -1.511 local terms energy: -679.122325 where: bonds (distance) C4'-P energy: -111.199 bonds (distance) P-C4' energy: -115.812 flat angles C4'-P-C4' energy: -152.411 flat angles P-C4'-P energy: -101.506 tors. eta vs tors. theta energy: -198.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2193.199526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.199526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.199526 (E_RNA) where: Base-Base interactions energy: -1538.815 where: short stacking energy: -637.692 Base-Backbone interact. energy: -2.002 local terms energy: -652.382368 where: bonds (distance) C4'-P energy: -126.816 bonds (distance) P-C4' energy: -111.735 flat angles C4'-P-C4' energy: -129.088 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -190.864 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: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2101.626744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.626744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.626744 (E_RNA) where: Base-Base interactions energy: -1466.048 where: short stacking energy: -611.495 Base-Backbone interact. energy: -0.939 local terms energy: -634.640187 where: bonds (distance) C4'-P energy: -106.197 bonds (distance) P-C4' energy: -118.104 flat angles C4'-P-C4' energy: -133.357 flat angles P-C4'-P energy: -82.868 tors. eta vs tors. theta energy: -194.114 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: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2078.866533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.866533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.866533 (E_RNA) where: Base-Base interactions energy: -1437.705 where: short stacking energy: -571.282 Base-Backbone interact. energy: -0.143 local terms energy: -641.017760 where: bonds (distance) C4'-P energy: -119.365 bonds (distance) P-C4' energy: -123.023 flat angles C4'-P-C4' energy: -128.300 flat angles P-C4'-P energy: -87.557 tors. eta vs tors. theta energy: -182.773 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: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1734.186192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.186192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.186192 (E_RNA) where: Base-Base interactions energy: -1162.981 where: short stacking energy: -481.485 Base-Backbone interact. energy: -1.417 local terms energy: -569.788499 where: bonds (distance) C4'-P energy: -117.593 bonds (distance) P-C4' energy: -123.229 flat angles C4'-P-C4' energy: -121.006 flat angles P-C4'-P energy: -81.339 tors. eta vs tors. theta energy: -126.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1563.687446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.687446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.687446 (E_RNA) where: Base-Base interactions energy: -1025.874 where: short stacking energy: -456.321 Base-Backbone interact. energy: -2.108 local terms energy: -535.704693 where: bonds (distance) C4'-P energy: -112.989 bonds (distance) P-C4' energy: -122.178 flat angles C4'-P-C4' energy: -115.934 flat angles P-C4'-P energy: -58.199 tors. eta vs tors. theta energy: -126.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1504.263133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.263133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.263133 (E_RNA) where: Base-Base interactions energy: -997.377 where: short stacking energy: -416.740 Base-Backbone interact. energy: -0.023 local terms energy: -506.862311 where: bonds (distance) C4'-P energy: -108.074 bonds (distance) P-C4' energy: -109.879 flat angles C4'-P-C4' energy: -107.630 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -108.201 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: 9, replica: 7 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1217.438403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.438403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.438403 (E_RNA) where: Base-Base interactions energy: -789.351 where: short stacking energy: -349.694 Base-Backbone interact. energy: -1.506 local terms energy: -426.581892 where: bonds (distance) C4'-P energy: -100.866 bonds (distance) P-C4' energy: -105.160 flat angles C4'-P-C4' energy: -103.701 flat angles P-C4'-P energy: -49.226 tors. eta vs tors. theta energy: -67.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -807.765952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.765952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.765952 (E_RNA) where: Base-Base interactions energy: -442.982 where: short stacking energy: -226.842 Base-Backbone interact. energy: -0.756 local terms energy: -364.028115 where: bonds (distance) C4'-P energy: -106.242 bonds (distance) P-C4' energy: -83.256 flat angles C4'-P-C4' energy: -108.441 flat angles P-C4'-P energy: -55.542 tors. eta vs tors. theta energy: -10.549 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: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -2381.502719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.502719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.502719 (E_RNA) where: Base-Base interactions energy: -1668.289 where: short stacking energy: -663.388 Base-Backbone interact. energy: -3.349 local terms energy: -709.864937 where: bonds (distance) C4'-P energy: -121.550 bonds (distance) P-C4' energy: -131.256 flat angles C4'-P-C4' energy: -153.936 flat angles P-C4'-P energy: -97.470 tors. eta vs tors. theta energy: -205.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -2284.423049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.423049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.423049 (E_RNA) where: Base-Base interactions energy: -1613.711 where: short stacking energy: -647.499 Base-Backbone interact. energy: -1.902 local terms energy: -668.810078 where: bonds (distance) C4'-P energy: -117.343 bonds (distance) P-C4' energy: -122.465 flat angles C4'-P-C4' energy: -135.164 flat angles P-C4'-P energy: -97.693 tors. eta vs tors. theta energy: -196.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2134.618703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.618703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.618703 (E_RNA) where: Base-Base interactions energy: -1492.553 where: short stacking energy: -617.038 Base-Backbone interact. energy: 0.288 local terms energy: -642.353456 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -124.848 flat angles C4'-P-C4' energy: -137.742 flat angles P-C4'-P energy: -77.229 tors. eta vs tors. theta energy: -196.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2131.546084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.546084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.546084 (E_RNA) where: Base-Base interactions energy: -1500.911 where: short stacking energy: -605.231 Base-Backbone interact. energy: -3.064 local terms energy: -627.571238 where: bonds (distance) C4'-P energy: -100.142 bonds (distance) P-C4' energy: -118.394 flat angles C4'-P-C4' energy: -124.100 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -198.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2070.312972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.312972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.312972 (E_RNA) where: Base-Base interactions energy: -1441.160 where: short stacking energy: -591.919 Base-Backbone interact. energy: -5.999 local terms energy: -623.154196 where: bonds (distance) C4'-P energy: -93.096 bonds (distance) P-C4' energy: -121.646 flat angles C4'-P-C4' energy: -141.309 flat angles P-C4'-P energy: -80.494 tors. eta vs tors. theta energy: -186.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1789.363059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.363059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.363059 (E_RNA) where: Base-Base interactions energy: -1217.691 where: short stacking energy: -503.116 Base-Backbone interact. energy: -2.826 local terms energy: -568.846386 where: bonds (distance) C4'-P energy: -104.562 bonds (distance) P-C4' energy: -107.579 flat angles C4'-P-C4' energy: -128.197 flat angles P-C4'-P energy: -90.255 tors. eta vs tors. theta energy: -138.253 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: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1645.632723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.632723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.632723 (E_RNA) where: Base-Base interactions energy: -1119.898 where: short stacking energy: -495.826 Base-Backbone interact. energy: -0.772 local terms energy: -524.962933 where: bonds (distance) C4'-P energy: -91.888 bonds (distance) P-C4' energy: -107.565 flat angles C4'-P-C4' energy: -111.637 flat angles P-C4'-P energy: -71.274 tors. eta vs tors. theta energy: -142.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1487.453264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.453264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.453264 (E_RNA) where: Base-Base interactions energy: -999.788 where: short stacking energy: -421.257 Base-Backbone interact. energy: 1.507 local terms energy: -489.171714 where: bonds (distance) C4'-P energy: -103.706 bonds (distance) P-C4' energy: -99.631 flat angles C4'-P-C4' energy: -119.783 flat angles P-C4'-P energy: -53.967 tors. eta vs tors. theta energy: -112.084 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: 7 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1227.373944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.373944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.373944 (E_RNA) where: Base-Base interactions energy: -789.289 where: short stacking energy: -331.309 Base-Backbone interact. energy: -3.791 local terms energy: -434.293946 where: bonds (distance) C4'-P energy: -98.159 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -95.198 flat angles P-C4'-P energy: -67.585 tors. eta vs tors. theta energy: -75.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -788.616413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.616413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.616413 (E_RNA) where: Base-Base interactions energy: -433.844 where: short stacking energy: -221.063 Base-Backbone interact. energy: 2.921 local terms energy: -357.693410 where: bonds (distance) C4'-P energy: -108.951 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -101.303 flat angles P-C4'-P energy: -52.587 tors. eta vs tors. theta energy: -13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -2363.123541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.123541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.123541 (E_RNA) where: Base-Base interactions energy: -1668.637 where: short stacking energy: -669.183 Base-Backbone interact. energy: -4.158 local terms energy: -690.328884 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -118.079 flat angles C4'-P-C4' energy: -138.378 flat angles P-C4'-P energy: -104.331 tors. eta vs tors. theta energy: -207.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2300.010727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.010727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.010727 (E_RNA) where: Base-Base interactions energy: -1629.559 where: short stacking energy: -655.360 Base-Backbone interact. energy: 0.436 local terms energy: -670.888008 where: bonds (distance) C4'-P energy: -117.643 bonds (distance) P-C4' energy: -109.926 flat angles C4'-P-C4' energy: -143.526 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -199.926 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: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2160.027200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.027200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.027200 (E_RNA) where: Base-Base interactions energy: -1487.236 where: short stacking energy: -617.943 Base-Backbone interact. energy: -0.791 local terms energy: -671.999958 where: bonds (distance) C4'-P energy: -118.852 bonds (distance) P-C4' energy: -113.653 flat angles C4'-P-C4' energy: -136.912 flat angles P-C4'-P energy: -97.615 tors. eta vs tors. theta energy: -204.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2087.446716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.446716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.446716 (E_RNA) where: Base-Base interactions energy: -1482.846 where: short stacking energy: -594.272 Base-Backbone interact. energy: -1.558 local terms energy: -603.042376 where: bonds (distance) C4'-P energy: -105.340 bonds (distance) P-C4' energy: -98.600 flat angles C4'-P-C4' energy: -135.802 flat angles P-C4'-P energy: -80.281 tors. eta vs tors. theta energy: -183.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2108.215903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.215903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.215903 (E_RNA) where: Base-Base interactions energy: -1461.920 where: short stacking energy: -592.772 Base-Backbone interact. energy: -2.417 local terms energy: -643.879200 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -114.303 flat angles C4'-P-C4' energy: -135.727 flat angles P-C4'-P energy: -85.691 tors. eta vs tors. theta energy: -193.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1696.237073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.237073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.237073 (E_RNA) where: Base-Base interactions energy: -1159.003 where: short stacking energy: -472.890 Base-Backbone interact. energy: 0.398 local terms energy: -537.632428 where: bonds (distance) C4'-P energy: -94.997 bonds (distance) P-C4' energy: -101.612 flat angles C4'-P-C4' energy: -124.711 flat angles P-C4'-P energy: -81.326 tors. eta vs tors. theta energy: -134.987 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: 419 Temperature: 1.200000 Total energy: -1738.911751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.911751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.911751 (E_RNA) where: Base-Base interactions energy: -1174.752 where: short stacking energy: -487.619 Base-Backbone interact. energy: 4.232 local terms energy: -568.391659 where: bonds (distance) C4'-P energy: -103.934 bonds (distance) P-C4' energy: -130.055 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -84.398 tors. eta vs tors. theta energy: -140.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1504.837817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.837817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.837817 (E_RNA) where: Base-Base interactions energy: -1026.106 where: short stacking energy: -427.015 Base-Backbone interact. energy: 0.150 local terms energy: -478.881256 where: bonds (distance) C4'-P energy: -100.608 bonds (distance) P-C4' energy: -103.646 flat angles C4'-P-C4' energy: -111.666 flat angles P-C4'-P energy: -59.318 tors. eta vs tors. theta energy: -103.643 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: 9, replica: 7 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1185.041903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.041903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.041903 (E_RNA) where: Base-Base interactions energy: -766.606 where: short stacking energy: -341.310 Base-Backbone interact. energy: 2.916 local terms energy: -421.352036 where: bonds (distance) C4'-P energy: -97.674 bonds (distance) P-C4' energy: -94.125 flat angles C4'-P-C4' energy: -109.348 flat angles P-C4'-P energy: -57.944 tors. eta vs tors. theta energy: -62.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -796.615120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.615120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.615120 (E_RNA) where: Base-Base interactions energy: -436.563 where: short stacking energy: -210.793 Base-Backbone interact. energy: 5.959 local terms energy: -366.010832 where: bonds (distance) C4'-P energy: -104.034 bonds (distance) P-C4' energy: -102.805 flat angles C4'-P-C4' energy: -89.777 flat angles P-C4'-P energy: -61.664 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -2319.692621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.692621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.692621 (E_RNA) where: Base-Base interactions energy: -1628.801 where: short stacking energy: -663.583 Base-Backbone interact. energy: -2.419 local terms energy: -688.473196 where: bonds (distance) C4'-P energy: -121.949 bonds (distance) P-C4' energy: -124.616 flat angles C4'-P-C4' energy: -147.014 flat angles P-C4'-P energy: -96.016 tors. eta vs tors. theta energy: -198.878 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: 2, replica: 8 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2330.352007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.352007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.352007 (E_RNA) where: Base-Base interactions energy: -1658.198 where: short stacking energy: -677.353 Base-Backbone interact. energy: -1.983 local terms energy: -670.170986 where: bonds (distance) C4'-P energy: -110.428 bonds (distance) P-C4' energy: -117.215 flat angles C4'-P-C4' energy: -147.783 flat angles P-C4'-P energy: -89.787 tors. eta vs tors. theta energy: -204.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2168.458466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.458466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.458466 (E_RNA) where: Base-Base interactions energy: -1549.815 where: short stacking energy: -643.052 Base-Backbone interact. energy: -0.314 local terms energy: -618.329717 where: bonds (distance) C4'-P energy: -100.945 bonds (distance) P-C4' energy: -103.631 flat angles C4'-P-C4' energy: -127.871 flat angles P-C4'-P energy: -87.418 tors. eta vs tors. theta energy: -198.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2072.266597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.266597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.266597 (E_RNA) where: Base-Base interactions energy: -1447.807 where: short stacking energy: -607.499 Base-Backbone interact. energy: -3.946 local terms energy: -620.513595 where: bonds (distance) C4'-P energy: -108.537 bonds (distance) P-C4' energy: -117.530 flat angles C4'-P-C4' energy: -128.038 flat angles P-C4'-P energy: -90.516 tors. eta vs tors. theta energy: -175.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2072.658764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.658764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.658764 (E_RNA) where: Base-Base interactions energy: -1468.298 where: short stacking energy: -605.707 Base-Backbone interact. energy: 2.391 local terms energy: -606.752324 where: bonds (distance) C4'-P energy: -117.169 bonds (distance) P-C4' energy: -117.226 flat angles C4'-P-C4' energy: -126.900 flat angles P-C4'-P energy: -72.007 tors. eta vs tors. theta energy: -173.450 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: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1700.851925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.851925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.851925 (E_RNA) where: Base-Base interactions energy: -1164.327 where: short stacking energy: -502.278 Base-Backbone interact. energy: -0.635 local terms energy: -535.889876 where: bonds (distance) C4'-P energy: -101.391 bonds (distance) P-C4' energy: -106.553 flat angles C4'-P-C4' energy: -119.779 flat angles P-C4'-P energy: -76.078 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: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1655.621482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.621482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.621482 (E_RNA) where: Base-Base interactions energy: -1110.275 where: short stacking energy: -471.051 Base-Backbone interact. energy: -2.878 local terms energy: -542.468969 where: bonds (distance) C4'-P energy: -96.635 bonds (distance) P-C4' energy: -107.321 flat angles C4'-P-C4' energy: -123.652 flat angles P-C4'-P energy: -87.909 tors. eta vs tors. theta energy: -126.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1490.495130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.495130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.495130 (E_RNA) where: Base-Base interactions energy: -1002.862 where: short stacking energy: -412.284 Base-Backbone interact. energy: 1.239 local terms energy: -488.871310 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -112.640 flat angles C4'-P-C4' energy: -104.540 flat angles P-C4'-P energy: -79.048 tors. eta vs tors. theta energy: -101.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1197.954803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.954803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.954803 (E_RNA) where: Base-Base interactions energy: -748.277 where: short stacking energy: -340.027 Base-Backbone interact. energy: 0.678 local terms energy: -450.356005 where: bonds (distance) C4'-P energy: -101.581 bonds (distance) P-C4' energy: -109.937 flat angles C4'-P-C4' energy: -101.501 flat angles P-C4'-P energy: -55.493 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: 3 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -790.226572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.226572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.226572 (E_RNA) where: Base-Base interactions energy: -433.797 where: short stacking energy: -230.118 Base-Backbone interact. energy: 2.790 local terms energy: -359.218905 where: bonds (distance) C4'-P energy: -103.249 bonds (distance) P-C4' energy: -79.817 flat angles C4'-P-C4' energy: -97.509 flat angles P-C4'-P energy: -49.858 tors. eta vs tors. theta energy: -28.785 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: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -2318.664036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.664036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.664036 (E_RNA) where: Base-Base interactions energy: -1619.671 where: short stacking energy: -649.031 Base-Backbone interact. energy: -2.733 local terms energy: -696.260139 where: bonds (distance) C4'-P energy: -129.852 bonds (distance) P-C4' energy: -132.203 flat angles C4'-P-C4' energy: -138.971 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -193.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2346.980330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.980330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.980330 (E_RNA) where: Base-Base interactions energy: -1657.048 where: short stacking energy: -669.636 Base-Backbone interact. energy: -3.367 local terms energy: -686.565375 where: bonds (distance) C4'-P energy: -111.461 bonds (distance) P-C4' energy: -118.137 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -104.290 tors. eta vs tors. theta energy: -208.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2167.655450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.655450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.655450 (E_RNA) where: Base-Base interactions energy: -1518.919 where: short stacking energy: -629.427 Base-Backbone interact. energy: 0.718 local terms energy: -649.453471 where: bonds (distance) C4'-P energy: -115.527 bonds (distance) P-C4' energy: -132.428 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -90.866 tors. eta vs tors. theta energy: -195.378 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: 421 Temperature: 1.050000 Total energy: -2141.169922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.169922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.169922 (E_RNA) where: Base-Base interactions energy: -1496.304 where: short stacking energy: -621.774 Base-Backbone interact. energy: -2.868 local terms energy: -641.997843 where: bonds (distance) C4'-P energy: -121.003 bonds (distance) P-C4' energy: -114.657 flat angles C4'-P-C4' energy: -132.382 flat angles P-C4'-P energy: -80.226 tors. eta vs tors. theta energy: -193.729 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: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2056.709443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.709443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.709443 (E_RNA) where: Base-Base interactions energy: -1413.149 where: short stacking energy: -580.184 Base-Backbone interact. energy: -1.305 local terms energy: -642.255550 where: bonds (distance) C4'-P energy: -115.800 bonds (distance) P-C4' energy: -120.999 flat angles C4'-P-C4' energy: -129.872 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -187.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1692.103037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.103037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.103037 (E_RNA) where: Base-Base interactions energy: -1153.058 where: short stacking energy: -504.583 Base-Backbone interact. energy: -1.502 local terms energy: -537.543203 where: bonds (distance) C4'-P energy: -115.840 bonds (distance) P-C4' energy: -110.517 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -70.414 tors. eta vs tors. theta energy: -133.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1673.556568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.556568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.556568 (E_RNA) where: Base-Base interactions energy: -1120.745 where: short stacking energy: -447.567 Base-Backbone interact. energy: -1.441 local terms energy: -551.370051 where: bonds (distance) C4'-P energy: -106.125 bonds (distance) P-C4' energy: -101.501 flat angles C4'-P-C4' energy: -131.744 flat angles P-C4'-P energy: -88.139 tors. eta vs tors. theta energy: -123.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1505.064711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.064711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.064711 (E_RNA) where: Base-Base interactions energy: -987.556 where: short stacking energy: -418.788 Base-Backbone interact. energy: -1.549 local terms energy: -515.959604 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -98.421 flat angles C4'-P-C4' energy: -131.399 flat angles P-C4'-P energy: -69.039 tors. eta vs tors. theta energy: -114.503 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: 9, replica: 7 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1205.130893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.130893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.130893 (E_RNA) where: Base-Base interactions energy: -751.739 where: short stacking energy: -343.565 Base-Backbone interact. energy: -1.011 local terms energy: -452.380780 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -121.492 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -71.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -853.373531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.373531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.373531 (E_RNA) where: Base-Base interactions energy: -486.326 where: short stacking energy: -234.069 Base-Backbone interact. energy: 5.183 local terms energy: -372.231329 where: bonds (distance) C4'-P energy: -103.189 bonds (distance) P-C4' energy: -94.987 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -55.606 tors. eta vs tors. theta energy: -22.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -2387.067930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.067930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.067930 (E_RNA) where: Base-Base interactions energy: -1692.620 where: short stacking energy: -676.394 Base-Backbone interact. energy: -2.049 local terms energy: -692.398912 where: bonds (distance) C4'-P energy: -118.867 bonds (distance) P-C4' energy: -115.354 flat angles C4'-P-C4' energy: -146.632 flat angles P-C4'-P energy: -102.407 tors. eta vs tors. theta energy: -209.138 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: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2290.371565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.371565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.371565 (E_RNA) where: Base-Base interactions energy: -1617.432 where: short stacking energy: -657.593 Base-Backbone interact. energy: 0.925 local terms energy: -673.864884 where: bonds (distance) C4'-P energy: -120.832 bonds (distance) P-C4' energy: -118.618 flat angles C4'-P-C4' energy: -140.634 flat angles P-C4'-P energy: -94.173 tors. eta vs tors. theta energy: -199.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2163.106614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.106614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.106614 (E_RNA) where: Base-Base interactions energy: -1494.256 where: short stacking energy: -621.654 Base-Backbone interact. energy: 0.899 local terms energy: -669.749528 where: bonds (distance) C4'-P energy: -123.405 bonds (distance) P-C4' energy: -113.393 flat angles C4'-P-C4' energy: -137.032 flat angles P-C4'-P energy: -90.579 tors. eta vs tors. theta energy: -205.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2076.474889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.474889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.474889 (E_RNA) where: Base-Base interactions energy: -1430.277 where: short stacking energy: -592.408 Base-Backbone interact. energy: -0.404 local terms energy: -645.793839 where: bonds (distance) C4'-P energy: -122.165 bonds (distance) P-C4' energy: -112.301 flat angles C4'-P-C4' energy: -145.300 flat angles P-C4'-P energy: -83.311 tors. eta vs tors. theta energy: -182.717 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: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2008.092529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.092529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.092529 (E_RNA) where: Base-Base interactions energy: -1405.565 where: short stacking energy: -574.285 Base-Backbone interact. energy: -3.638 local terms energy: -598.888950 where: bonds (distance) C4'-P energy: -99.770 bonds (distance) P-C4' energy: -116.212 flat angles C4'-P-C4' energy: -139.960 flat angles P-C4'-P energy: -87.506 tors. eta vs tors. theta energy: -155.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1621.847084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.847084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.847084 (E_RNA) where: Base-Base interactions energy: -1074.868 where: short stacking energy: -464.230 Base-Backbone interact. energy: -0.469 local terms energy: -546.510506 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -123.314 flat angles C4'-P-C4' energy: -127.096 flat angles P-C4'-P energy: -70.561 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: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1508.246507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.246507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.246507 (E_RNA) where: Base-Base interactions energy: -1003.802 where: short stacking energy: -419.426 Base-Backbone interact. energy: -1.213 local terms energy: -503.230873 where: bonds (distance) C4'-P energy: -93.516 bonds (distance) P-C4' energy: -104.375 flat angles C4'-P-C4' energy: -125.066 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: -113.174 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: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1551.655765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.655765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.655765 (E_RNA) where: Base-Base interactions energy: -1066.062 where: short stacking energy: -426.237 Base-Backbone interact. energy: -0.481 local terms energy: -485.113197 where: bonds (distance) C4'-P energy: -87.339 bonds (distance) P-C4' energy: -108.166 flat angles C4'-P-C4' energy: -110.069 flat angles P-C4'-P energy: -70.172 tors. eta vs tors. theta energy: -109.368 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: 7 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1192.600558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.600558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.600558 (E_RNA) where: Base-Base interactions energy: -765.833 where: short stacking energy: -340.550 Base-Backbone interact. energy: -0.990 local terms energy: -425.776973 where: bonds (distance) C4'-P energy: -93.942 bonds (distance) P-C4' energy: -97.587 flat angles C4'-P-C4' energy: -86.484 flat angles P-C4'-P energy: -73.316 tors. eta vs tors. theta energy: -74.448 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: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -874.041499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.041499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.041499 (E_RNA) where: Base-Base interactions energy: -505.614 where: short stacking energy: -251.287 Base-Backbone interact. energy: -2.552 local terms energy: -365.875275 where: bonds (distance) C4'-P energy: -95.189 bonds (distance) P-C4' energy: -95.121 flat angles C4'-P-C4' energy: -90.755 flat angles P-C4'-P energy: -54.652 tors. eta vs tors. theta energy: -30.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -2379.635342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.635342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.635342 (E_RNA) where: Base-Base interactions energy: -1661.846 where: short stacking energy: -682.163 Base-Backbone interact. energy: -1.411 local terms energy: -716.378871 where: bonds (distance) C4'-P energy: -120.652 bonds (distance) P-C4' energy: -128.106 flat angles C4'-P-C4' energy: -147.867 flat angles P-C4'-P energy: -103.232 tors. eta vs tors. theta energy: -216.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2302.859074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.859074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.859074 (E_RNA) where: Base-Base interactions energy: -1613.160 where: short stacking energy: -643.636 Base-Backbone interact. energy: 0.223 local terms energy: -689.922404 where: bonds (distance) C4'-P energy: -123.292 bonds (distance) P-C4' energy: -119.652 flat angles C4'-P-C4' energy: -145.102 flat angles P-C4'-P energy: -105.655 tors. eta vs tors. theta energy: -196.222 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: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2150.929206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.929206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.929206 (E_RNA) where: Base-Base interactions energy: -1517.179 where: short stacking energy: -624.345 Base-Backbone interact. energy: -1.248 local terms energy: -632.502089 where: bonds (distance) C4'-P energy: -122.212 bonds (distance) P-C4' energy: -109.376 flat angles C4'-P-C4' energy: -136.053 flat angles P-C4'-P energy: -86.189 tors. eta vs tors. theta energy: -178.672 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: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2105.171846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.171846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.171846 (E_RNA) where: Base-Base interactions energy: -1470.280 where: short stacking energy: -602.020 Base-Backbone interact. energy: 0.141 local terms energy: -635.032941 where: bonds (distance) C4'-P energy: -104.534 bonds (distance) P-C4' energy: -119.026 flat angles C4'-P-C4' energy: -131.097 flat angles P-C4'-P energy: -92.639 tors. eta vs tors. theta energy: -187.738 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: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1929.580697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.580697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.580697 (E_RNA) where: Base-Base interactions energy: -1348.653 where: short stacking energy: -556.318 Base-Backbone interact. energy: -0.115 local terms energy: -580.812685 where: bonds (distance) C4'-P energy: -97.524 bonds (distance) P-C4' energy: -111.030 flat angles C4'-P-C4' energy: -126.074 flat angles P-C4'-P energy: -80.507 tors. eta vs tors. theta energy: -165.677 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: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1657.734808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.734808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.734808 (E_RNA) where: Base-Base interactions energy: -1128.482 where: short stacking energy: -480.317 Base-Backbone interact. energy: -2.277 local terms energy: -526.975342 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -103.999 flat angles C4'-P-C4' energy: -124.039 flat angles P-C4'-P energy: -79.949 tors. eta vs tors. theta energy: -127.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1567.646198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.646198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.646198 (E_RNA) where: Base-Base interactions energy: -1033.768 where: short stacking energy: -433.235 Base-Backbone interact. energy: -2.810 local terms energy: -531.068398 where: bonds (distance) C4'-P energy: -94.064 bonds (distance) P-C4' energy: -106.961 flat angles C4'-P-C4' energy: -126.002 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -119.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1530.906238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.906238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.906238 (E_RNA) where: Base-Base interactions energy: -1045.279 where: short stacking energy: -418.649 Base-Backbone interact. energy: 3.304 local terms energy: -488.931085 where: bonds (distance) C4'-P energy: -102.992 bonds (distance) P-C4' energy: -96.132 flat angles C4'-P-C4' energy: -110.886 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -112.735 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: 7 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1182.552991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.552991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.552991 (E_RNA) where: Base-Base interactions energy: -717.592 where: short stacking energy: -315.366 Base-Backbone interact. energy: -1.199 local terms energy: -463.762535 where: bonds (distance) C4'-P energy: -108.370 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -115.989 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -67.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -871.542022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.542022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.542022 (E_RNA) where: Base-Base interactions energy: -520.221 where: short stacking energy: -254.105 Base-Backbone interact. energy: 3.918 local terms energy: -355.239164 where: bonds (distance) C4'-P energy: -84.640 bonds (distance) P-C4' energy: -97.247 flat angles C4'-P-C4' energy: -86.086 flat angles P-C4'-P energy: -56.944 tors. eta vs tors. theta energy: -30.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -2390.748370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.748370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.748370 (E_RNA) where: Base-Base interactions energy: -1685.991 where: short stacking energy: -697.881 Base-Backbone interact. energy: -3.835 local terms energy: -700.922431 where: bonds (distance) C4'-P energy: -120.654 bonds (distance) P-C4' energy: -117.891 flat angles C4'-P-C4' energy: -142.515 flat angles P-C4'-P energy: -105.954 tors. eta vs tors. theta energy: -213.909 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: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -2275.052248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.052248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.052248 (E_RNA) where: Base-Base interactions energy: -1623.223 where: short stacking energy: -640.891 Base-Backbone interact. energy: -0.862 local terms energy: -650.967370 where: bonds (distance) C4'-P energy: -114.011 bonds (distance) P-C4' energy: -121.596 flat angles C4'-P-C4' energy: -138.572 flat angles P-C4'-P energy: -85.243 tors. eta vs tors. theta energy: -191.546 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: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2157.696107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.696107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.696107 (E_RNA) where: Base-Base interactions energy: -1512.663 where: short stacking energy: -625.243 Base-Backbone interact. energy: 2.213 local terms energy: -647.246243 where: bonds (distance) C4'-P energy: -107.902 bonds (distance) P-C4' energy: -123.069 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -105.091 tors. eta vs tors. theta energy: -184.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2107.302339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.302339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.302339 (E_RNA) where: Base-Base interactions energy: -1470.486 where: short stacking energy: -600.852 Base-Backbone interact. energy: -0.893 local terms energy: -635.923650 where: bonds (distance) C4'-P energy: -111.091 bonds (distance) P-C4' energy: -127.586 flat angles C4'-P-C4' energy: -129.378 flat angles P-C4'-P energy: -90.905 tors. eta vs tors. theta energy: -176.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1955.126138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.126138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.126138 (E_RNA) where: Base-Base interactions energy: -1389.107 where: short stacking energy: -574.782 Base-Backbone interact. energy: -2.023 local terms energy: -563.996897 where: bonds (distance) C4'-P energy: -99.816 bonds (distance) P-C4' energy: -95.385 flat angles C4'-P-C4' energy: -128.711 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -165.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1646.351840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.351840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.351840 (E_RNA) where: Base-Base interactions energy: -1107.937 where: short stacking energy: -487.585 Base-Backbone interact. energy: -0.580 local terms energy: -537.835005 where: bonds (distance) C4'-P energy: -96.772 bonds (distance) P-C4' energy: -117.701 flat angles C4'-P-C4' energy: -116.896 flat angles P-C4'-P energy: -62.767 tors. eta vs tors. theta energy: -143.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1618.199056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.199056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.199056 (E_RNA) where: Base-Base interactions energy: -1089.638 where: short stacking energy: -463.962 Base-Backbone interact. energy: 0.891 local terms energy: -529.452489 where: bonds (distance) C4'-P energy: -103.911 bonds (distance) P-C4' energy: -105.597 flat angles C4'-P-C4' energy: -114.542 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1493.621223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.621223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.621223 (E_RNA) where: Base-Base interactions energy: -991.270 where: short stacking energy: -407.300 Base-Backbone interact. energy: 0.725 local terms energy: -503.076249 where: bonds (distance) C4'-P energy: -106.938 bonds (distance) P-C4' energy: -109.781 flat angles C4'-P-C4' energy: -109.960 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -101.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1210.094510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.094510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.094510 (E_RNA) where: Base-Base interactions energy: -776.889 where: short stacking energy: -333.839 Base-Backbone interact. energy: -3.512 local terms energy: -429.693314 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -105.328 flat angles C4'-P-C4' energy: -98.803 flat angles P-C4'-P energy: -42.660 tors. eta vs tors. theta energy: -73.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -836.049847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.049847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.049847 (E_RNA) where: Base-Base interactions energy: -452.499 where: short stacking energy: -206.086 Base-Backbone interact. energy: -3.082 local terms energy: -380.468751 where: bonds (distance) C4'-P energy: -87.812 bonds (distance) P-C4' energy: -117.112 flat angles C4'-P-C4' energy: -102.201 flat angles P-C4'-P energy: -51.630 tors. eta vs tors. theta energy: -21.714 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -2388.698363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.698363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.698363 (E_RNA) where: Base-Base interactions energy: -1676.221 where: short stacking energy: -711.285 Base-Backbone interact. energy: -2.277 local terms energy: -710.200497 where: bonds (distance) C4'-P energy: -134.851 bonds (distance) P-C4' energy: -116.182 flat angles C4'-P-C4' energy: -143.638 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -219.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2264.608678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.608678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.608678 (E_RNA) where: Base-Base interactions energy: -1600.310 where: short stacking energy: -668.071 Base-Backbone interact. energy: -0.025 local terms energy: -664.273401 where: bonds (distance) C4'-P energy: -110.767 bonds (distance) P-C4' energy: -119.282 flat angles C4'-P-C4' energy: -138.791 flat angles P-C4'-P energy: -97.621 tors. eta vs tors. theta energy: -197.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2160.740191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.740191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.740191 (E_RNA) where: Base-Base interactions energy: -1527.092 where: short stacking energy: -627.413 Base-Backbone interact. energy: 2.127 local terms energy: -635.775089 where: bonds (distance) C4'-P energy: -111.047 bonds (distance) P-C4' energy: -111.592 flat angles C4'-P-C4' energy: -135.014 flat angles P-C4'-P energy: -88.835 tors. eta vs tors. theta energy: -189.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2046.295774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.295774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.295774 (E_RNA) where: Base-Base interactions energy: -1437.682 where: short stacking energy: -594.748 Base-Backbone interact. energy: -1.205 local terms energy: -607.409274 where: bonds (distance) C4'-P energy: -106.168 bonds (distance) P-C4' energy: -116.684 flat angles C4'-P-C4' energy: -130.691 flat angles P-C4'-P energy: -80.038 tors. eta vs tors. theta energy: -173.827 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: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1983.355686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.355686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.355686 (E_RNA) where: Base-Base interactions energy: -1355.241 where: short stacking energy: -562.621 Base-Backbone interact. energy: -2.205 local terms energy: -625.909702 where: bonds (distance) C4'-P energy: -126.332 bonds (distance) P-C4' energy: -117.799 flat angles C4'-P-C4' energy: -121.017 flat angles P-C4'-P energy: -88.206 tors. eta vs tors. theta energy: -172.556 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: 4 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1692.270698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.270698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.270698 (E_RNA) where: Base-Base interactions energy: -1120.331 where: short stacking energy: -502.790 Base-Backbone interact. energy: -2.229 local terms energy: -569.711428 where: bonds (distance) C4'-P energy: -104.596 bonds (distance) P-C4' energy: -98.906 flat angles C4'-P-C4' energy: -134.927 flat angles P-C4'-P energy: -88.270 tors. eta vs tors. theta energy: -143.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1547.105270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.105270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.105270 (E_RNA) where: Base-Base interactions energy: -1016.341 where: short stacking energy: -443.888 Base-Backbone interact. energy: -1.918 local terms energy: -528.846287 where: bonds (distance) C4'-P energy: -106.691 bonds (distance) P-C4' energy: -103.973 flat angles C4'-P-C4' energy: -125.445 flat angles P-C4'-P energy: -74.502 tors. eta vs tors. theta energy: -118.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1399.384795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.384795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.384795 (E_RNA) where: Base-Base interactions energy: -922.338 where: short stacking energy: -405.415 Base-Backbone interact. energy: -1.800 local terms energy: -475.246882 where: bonds (distance) C4'-P energy: -103.068 bonds (distance) P-C4' energy: -102.732 flat angles C4'-P-C4' energy: -114.337 flat angles P-C4'-P energy: -63.363 tors. eta vs tors. theta energy: -91.746 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: 9, replica: 7 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1208.053519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.053519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.053519 (E_RNA) where: Base-Base interactions energy: -783.811 where: short stacking energy: -326.924 Base-Backbone interact. energy: 2.178 local terms energy: -426.419940 where: bonds (distance) C4'-P energy: -107.141 bonds (distance) P-C4' energy: -101.976 flat angles C4'-P-C4' energy: -95.425 flat angles P-C4'-P energy: -46.160 tors. eta vs tors. theta energy: -75.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -830.791064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.791064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.791064 (E_RNA) where: Base-Base interactions energy: -468.984 where: short stacking energy: -234.765 Base-Backbone interact. energy: 2.204 local terms energy: -364.010339 where: bonds (distance) C4'-P energy: -101.960 bonds (distance) P-C4' energy: -103.926 flat angles C4'-P-C4' energy: -86.825 flat angles P-C4'-P energy: -69.652 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -2399.655720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.655720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.655720 (E_RNA) where: Base-Base interactions energy: -1679.327 where: short stacking energy: -696.660 Base-Backbone interact. energy: -3.062 local terms energy: -717.266752 where: bonds (distance) C4'-P energy: -129.284 bonds (distance) P-C4' energy: -131.253 flat angles C4'-P-C4' energy: -151.705 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -216.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2269.669310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.669310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.669310 (E_RNA) where: Base-Base interactions energy: -1606.684 where: short stacking energy: -658.392 Base-Backbone interact. energy: 0.539 local terms energy: -663.524098 where: bonds (distance) C4'-P energy: -108.912 bonds (distance) P-C4' energy: -124.097 flat angles C4'-P-C4' energy: -133.353 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -191.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2179.407651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.407651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.407651 (E_RNA) where: Base-Base interactions energy: -1543.665 where: short stacking energy: -635.744 Base-Backbone interact. energy: -2.632 local terms energy: -633.110066 where: bonds (distance) C4'-P energy: -124.737 bonds (distance) P-C4' energy: -94.649 flat angles C4'-P-C4' energy: -135.080 flat angles P-C4'-P energy: -93.879 tors. eta vs tors. theta energy: -184.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2030.092804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.092804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.092804 (E_RNA) where: Base-Base interactions energy: -1416.697 where: short stacking energy: -594.807 Base-Backbone interact. energy: -1.478 local terms energy: -611.918021 where: bonds (distance) C4'-P energy: -100.476 bonds (distance) P-C4' energy: -104.361 flat angles C4'-P-C4' energy: -137.046 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -171.541 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: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1978.729300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.729300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.729300 (E_RNA) where: Base-Base interactions energy: -1397.011 where: short stacking energy: -562.434 Base-Backbone interact. energy: -4.906 local terms energy: -576.812391 where: bonds (distance) C4'-P energy: -92.324 bonds (distance) P-C4' energy: -112.481 flat angles C4'-P-C4' energy: -131.964 flat angles P-C4'-P energy: -76.050 tors. eta vs tors. theta energy: -163.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1717.180943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.180943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.180943 (E_RNA) where: Base-Base interactions energy: -1155.201 where: short stacking energy: -503.592 Base-Backbone interact. energy: -1.711 local terms energy: -560.269383 where: bonds (distance) C4'-P energy: -103.880 bonds (distance) P-C4' energy: -118.326 flat angles C4'-P-C4' energy: -120.062 flat angles P-C4'-P energy: -75.388 tors. eta vs tors. theta energy: -142.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1601.795024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.795024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.795024 (E_RNA) where: Base-Base interactions energy: -1065.084 where: short stacking energy: -467.875 Base-Backbone interact. energy: -1.862 local terms energy: -534.848864 where: bonds (distance) C4'-P energy: -103.603 bonds (distance) P-C4' energy: -100.799 flat angles C4'-P-C4' energy: -123.797 flat angles P-C4'-P energy: -83.376 tors. eta vs tors. theta energy: -123.274 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: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1422.434039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.434039 (E_RNA) where: Base-Base interactions energy: -944.927 where: short stacking energy: -380.315 Base-Backbone interact. energy: -2.422 local terms energy: -475.085287 where: bonds (distance) C4'-P energy: -106.990 bonds (distance) P-C4' energy: -113.539 flat angles C4'-P-C4' energy: -108.395 flat angles P-C4'-P energy: -64.022 tors. eta vs tors. theta energy: -82.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1195.515420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.515420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.515420 (E_RNA) where: Base-Base interactions energy: -761.169 where: short stacking energy: -343.833 Base-Backbone interact. energy: 8.539 local terms energy: -442.885034 where: bonds (distance) C4'-P energy: -87.759 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -121.130 flat angles P-C4'-P energy: -76.432 tors. eta vs tors. theta energy: -69.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -859.282723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.282723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.282723 (E_RNA) where: Base-Base interactions energy: -483.417 where: short stacking energy: -237.308 Base-Backbone interact. energy: -2.651 local terms energy: -373.214778 where: bonds (distance) C4'-P energy: -89.061 bonds (distance) P-C4' energy: -102.972 flat angles C4'-P-C4' energy: -110.893 flat angles P-C4'-P energy: -38.361 tors. eta vs tors. theta energy: -31.927 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: 1, replica: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -2376.051735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.051735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.051735 (E_RNA) where: Base-Base interactions energy: -1665.106 where: short stacking energy: -689.668 Base-Backbone interact. energy: -1.968 local terms energy: -708.978131 where: bonds (distance) C4'-P energy: -123.032 bonds (distance) P-C4' energy: -120.805 flat angles C4'-P-C4' energy: -149.053 flat angles P-C4'-P energy: -101.495 tors. eta vs tors. theta energy: -214.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2297.053730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.053730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.053730 (E_RNA) where: Base-Base interactions energy: -1636.217 where: short stacking energy: -659.579 Base-Backbone interact. energy: -2.975 local terms energy: -657.861816 where: bonds (distance) C4'-P energy: -113.748 bonds (distance) P-C4' energy: -117.151 flat angles C4'-P-C4' energy: -139.206 flat angles P-C4'-P energy: -93.161 tors. eta vs tors. theta energy: -194.596 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: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2169.354984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.354984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.354984 (E_RNA) where: Base-Base interactions energy: -1527.517 where: short stacking energy: -612.212 Base-Backbone interact. energy: 0.974 local terms energy: -642.812060 where: bonds (distance) C4'-P energy: -129.540 bonds (distance) P-C4' energy: -109.681 flat angles C4'-P-C4' energy: -130.459 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -182.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2030.306686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.306686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.306686 (E_RNA) where: Base-Base interactions energy: -1405.617 where: short stacking energy: -580.022 Base-Backbone interact. energy: 0.291 local terms energy: -624.980129 where: bonds (distance) C4'-P energy: -110.041 bonds (distance) P-C4' energy: -110.593 flat angles C4'-P-C4' energy: -131.459 flat angles P-C4'-P energy: -89.497 tors. eta vs tors. theta energy: -183.390 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: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1996.862679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.862679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.862679 (E_RNA) where: Base-Base interactions energy: -1365.979 where: short stacking energy: -561.337 Base-Backbone interact. energy: -0.615 local terms energy: -630.268780 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -112.889 flat angles C4'-P-C4' energy: -131.143 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -177.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1617.280748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.280748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.280748 (E_RNA) where: Base-Base interactions energy: -1073.892 where: short stacking energy: -456.795 Base-Backbone interact. energy: -0.512 local terms energy: -542.876434 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -117.706 flat angles C4'-P-C4' energy: -129.767 flat angles P-C4'-P energy: -71.670 tors. eta vs tors. theta energy: -125.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1536.853874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.853874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.853874 (E_RNA) where: Base-Base interactions energy: -1027.529 where: short stacking energy: -435.700 Base-Backbone interact. energy: -1.216 local terms energy: -508.108507 where: bonds (distance) C4'-P energy: -100.059 bonds (distance) P-C4' energy: -119.545 flat angles C4'-P-C4' energy: -94.409 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -115.556 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: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1489.431682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.431682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.431682 (E_RNA) where: Base-Base interactions energy: -979.440 where: short stacking energy: -417.478 Base-Backbone interact. energy: -1.904 local terms energy: -508.088242 where: bonds (distance) C4'-P energy: -108.663 bonds (distance) P-C4' energy: -118.951 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -111.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1237.080674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.080674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.080674 (E_RNA) where: Base-Base interactions energy: -793.597 where: short stacking energy: -355.297 Base-Backbone interact. energy: -1.170 local terms energy: -442.313012 where: bonds (distance) C4'-P energy: -103.731 bonds (distance) P-C4' energy: -98.559 flat angles C4'-P-C4' energy: -113.127 flat angles P-C4'-P energy: -53.309 tors. eta vs tors. theta energy: -73.586 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: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -836.213747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.213747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.213747 (E_RNA) where: Base-Base interactions energy: -500.017 where: short stacking energy: -255.660 Base-Backbone interact. energy: 11.233 local terms energy: -347.429989 where: bonds (distance) C4'-P energy: -97.272 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -83.438 flat angles P-C4'-P energy: -47.908 tors. eta vs tors. theta energy: -24.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -2372.403078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.403078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.403078 (E_RNA) where: Base-Base interactions energy: -1674.036 where: short stacking energy: -675.611 Base-Backbone interact. energy: 0.581 local terms energy: -698.948688 where: bonds (distance) C4'-P energy: -125.310 bonds (distance) P-C4' energy: -122.900 flat angles C4'-P-C4' energy: -142.937 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -210.794 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: 2, replica: 6 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2278.104751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.104751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.104751 (E_RNA) where: Base-Base interactions energy: -1625.405 where: short stacking energy: -640.610 Base-Backbone interact. energy: -1.066 local terms energy: -651.634161 where: bonds (distance) C4'-P energy: -115.363 bonds (distance) P-C4' energy: -116.284 flat angles C4'-P-C4' energy: -138.697 flat angles P-C4'-P energy: -88.008 tors. eta vs tors. theta energy: -193.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2191.883682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.883682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.883682 (E_RNA) where: Base-Base interactions energy: -1546.429 where: short stacking energy: -638.300 Base-Backbone interact. energy: -1.651 local terms energy: -643.804288 where: bonds (distance) C4'-P energy: -115.866 bonds (distance) P-C4' energy: -107.193 flat angles C4'-P-C4' energy: -138.433 flat angles P-C4'-P energy: -91.586 tors. eta vs tors. theta energy: -190.726 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: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2064.329488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.329488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.329488 (E_RNA) where: Base-Base interactions energy: -1436.437 where: short stacking energy: -583.339 Base-Backbone interact. energy: 1.864 local terms energy: -629.755958 where: bonds (distance) C4'-P energy: -119.830 bonds (distance) P-C4' energy: -105.951 flat angles C4'-P-C4' energy: -143.227 flat angles P-C4'-P energy: -80.628 tors. eta vs tors. theta energy: -180.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1995.654965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.654965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.654965 (E_RNA) where: Base-Base interactions energy: -1384.849 where: short stacking energy: -558.236 Base-Backbone interact. energy: 6.556 local terms energy: -617.361736 where: bonds (distance) C4'-P energy: -115.638 bonds (distance) P-C4' energy: -115.202 flat angles C4'-P-C4' energy: -135.238 flat angles P-C4'-P energy: -78.611 tors. eta vs tors. theta energy: -172.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1626.094898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.094898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.094898 (E_RNA) where: Base-Base interactions energy: -1065.462 where: short stacking energy: -473.968 Base-Backbone interact. energy: -0.629 local terms energy: -560.003364 where: bonds (distance) C4'-P energy: -105.464 bonds (distance) P-C4' energy: -118.117 flat angles C4'-P-C4' energy: -120.538 flat angles P-C4'-P energy: -92.580 tors. eta vs tors. theta energy: -123.305 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: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1558.606794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.606794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.606794 (E_RNA) where: Base-Base interactions energy: -1020.987 where: short stacking energy: -441.836 Base-Backbone interact. energy: 4.164 local terms energy: -541.784515 where: bonds (distance) C4'-P energy: -100.931 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -125.306 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -126.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1484.574630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.574630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.574630 (E_RNA) where: Base-Base interactions energy: -1010.305 where: short stacking energy: -448.866 Base-Backbone interact. energy: -2.834 local terms energy: -471.434858 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -92.023 flat angles C4'-P-C4' energy: -118.048 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -112.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1248.085371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.085371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.085371 (E_RNA) where: Base-Base interactions energy: -812.300 where: short stacking energy: -351.912 Base-Backbone interact. energy: -0.616 local terms energy: -435.170073 where: bonds (distance) C4'-P energy: -88.162 bonds (distance) P-C4' energy: -96.915 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -78.104 tors. eta vs tors. theta energy: -75.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -876.089869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.089869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.089869 (E_RNA) where: Base-Base interactions energy: -516.786 where: short stacking energy: -253.687 Base-Backbone interact. energy: 0.195 local terms energy: -359.498695 where: bonds (distance) C4'-P energy: -110.239 bonds (distance) P-C4' energy: -96.626 flat angles C4'-P-C4' energy: -99.527 flat angles P-C4'-P energy: -33.010 tors. eta vs tors. theta energy: -20.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -2394.924941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.924941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.924941 (E_RNA) where: Base-Base interactions energy: -1679.546 where: short stacking energy: -675.446 Base-Backbone interact. energy: -2.485 local terms energy: -712.893121 where: bonds (distance) C4'-P energy: -122.325 bonds (distance) P-C4' energy: -126.689 flat angles C4'-P-C4' energy: -140.642 flat angles P-C4'-P energy: -110.929 tors. eta vs tors. theta energy: -212.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2261.270117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.270117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.270117 (E_RNA) where: Base-Base interactions energy: -1582.242 where: short stacking energy: -636.090 Base-Backbone interact. energy: -1.936 local terms energy: -677.092403 where: bonds (distance) C4'-P energy: -120.198 bonds (distance) P-C4' energy: -122.081 flat angles C4'-P-C4' energy: -130.589 flat angles P-C4'-P energy: -108.550 tors. eta vs tors. theta energy: -195.674 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: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2139.011146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.011146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.011146 (E_RNA) where: Base-Base interactions energy: -1496.715 where: short stacking energy: -601.858 Base-Backbone interact. energy: -0.125 local terms energy: -642.171423 where: bonds (distance) C4'-P energy: -113.065 bonds (distance) P-C4' energy: -119.608 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -185.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2066.046432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.046432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.046432 (E_RNA) where: Base-Base interactions energy: -1443.099 where: short stacking energy: -589.426 Base-Backbone interact. energy: -0.779 local terms energy: -622.168447 where: bonds (distance) C4'-P energy: -96.086 bonds (distance) P-C4' energy: -118.153 flat angles C4'-P-C4' energy: -135.423 flat angles P-C4'-P energy: -84.063 tors. eta vs tors. theta energy: -188.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2038.686450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.686450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.686450 (E_RNA) where: Base-Base interactions energy: -1419.093 where: short stacking energy: -556.721 Base-Backbone interact. energy: -1.724 local terms energy: -617.868896 where: bonds (distance) C4'-P energy: -106.592 bonds (distance) P-C4' energy: -111.602 flat angles C4'-P-C4' energy: -135.172 flat angles P-C4'-P energy: -85.332 tors. eta vs tors. theta energy: -179.170 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: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1670.125953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.125953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.125953 (E_RNA) where: Base-Base interactions energy: -1108.456 where: short stacking energy: -477.492 Base-Backbone interact. energy: -2.017 local terms energy: -559.653208 where: bonds (distance) C4'-P energy: -108.455 bonds (distance) P-C4' energy: -113.142 flat angles C4'-P-C4' energy: -105.975 flat angles P-C4'-P energy: -83.649 tors. eta vs tors. theta energy: -148.432 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: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1518.760555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.760555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.760555 (E_RNA) where: Base-Base interactions energy: -1036.030 where: short stacking energy: -427.033 Base-Backbone interact. energy: 3.467 local terms energy: -486.197651 where: bonds (distance) C4'-P energy: -101.236 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -116.385 flat angles P-C4'-P energy: -63.174 tors. eta vs tors. theta energy: -104.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1544.531872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.531872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.531872 (E_RNA) where: Base-Base interactions energy: -1033.689 where: short stacking energy: -428.575 Base-Backbone interact. energy: 0.433 local terms energy: -511.276227 where: bonds (distance) C4'-P energy: -111.091 bonds (distance) P-C4' energy: -108.916 flat angles C4'-P-C4' energy: -99.697 flat angles P-C4'-P energy: -82.042 tors. eta vs tors. theta energy: -109.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1245.496457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.496457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.496457 (E_RNA) where: Base-Base interactions energy: -799.249 where: short stacking energy: -347.927 Base-Backbone interact. energy: 3.097 local terms energy: -449.344391 where: bonds (distance) C4'-P energy: -92.643 bonds (distance) P-C4' energy: -112.879 flat angles C4'-P-C4' energy: -108.950 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: -71.932 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: 10, replica: 3 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -850.130273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.130273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.130273 (E_RNA) where: Base-Base interactions energy: -501.098 where: short stacking energy: -231.259 Base-Backbone interact. energy: -3.750 local terms energy: -345.282832 where: bonds (distance) C4'-P energy: -98.946 bonds (distance) P-C4' energy: -84.972 flat angles C4'-P-C4' energy: -79.517 flat angles P-C4'-P energy: -57.268 tors. eta vs tors. theta energy: -24.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -2383.529402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.529402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.529402 (E_RNA) where: Base-Base interactions energy: -1677.408 where: short stacking energy: -676.988 Base-Backbone interact. energy: -2.301 local terms energy: -703.819671 where: bonds (distance) C4'-P energy: -122.446 bonds (distance) P-C4' energy: -123.306 flat angles C4'-P-C4' energy: -141.387 flat angles P-C4'-P energy: -104.900 tors. eta vs tors. theta energy: -211.779 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: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2271.517479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.517479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.517479 (E_RNA) where: Base-Base interactions energy: -1621.045 where: short stacking energy: -639.480 Base-Backbone interact. energy: -2.063 local terms energy: -648.409937 where: bonds (distance) C4'-P energy: -112.105 bonds (distance) P-C4' energy: -123.667 flat angles C4'-P-C4' energy: -129.519 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -192.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2186.293165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.293165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.293165 (E_RNA) where: Base-Base interactions energy: -1524.653 where: short stacking energy: -634.897 Base-Backbone interact. energy: -2.169 local terms energy: -659.471233 where: bonds (distance) C4'-P energy: -117.134 bonds (distance) P-C4' energy: -119.006 flat angles C4'-P-C4' energy: -137.043 flat angles P-C4'-P energy: -92.660 tors. eta vs tors. theta energy: -193.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2060.495184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.495184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.495184 (E_RNA) where: Base-Base interactions energy: -1434.418 where: short stacking energy: -607.426 Base-Backbone interact. energy: 0.405 local terms energy: -626.482723 where: bonds (distance) C4'-P energy: -117.090 bonds (distance) P-C4' energy: -116.573 flat angles C4'-P-C4' energy: -136.929 flat angles P-C4'-P energy: -73.131 tors. eta vs tors. theta energy: -182.759 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: 5, replica: 5 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2067.087666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.087666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.087666 (E_RNA) where: Base-Base interactions energy: -1455.492 where: short stacking energy: -575.951 Base-Backbone interact. energy: -1.252 local terms energy: -610.343833 where: bonds (distance) C4'-P energy: -107.320 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -133.980 flat angles P-C4'-P energy: -89.482 tors. eta vs tors. theta energy: -186.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1634.326205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.326205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.326205 (E_RNA) where: Base-Base interactions energy: -1091.121 where: short stacking energy: -463.910 Base-Backbone interact. energy: -1.141 local terms energy: -542.065083 where: bonds (distance) C4'-P energy: -108.872 bonds (distance) P-C4' energy: -106.472 flat angles C4'-P-C4' energy: -120.413 flat angles P-C4'-P energy: -83.880 tors. eta vs tors. theta energy: -122.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1597.669915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.669915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.669915 (E_RNA) where: Base-Base interactions energy: -1050.242 where: short stacking energy: -464.593 Base-Backbone interact. energy: 0.105 local terms energy: -547.532725 where: bonds (distance) C4'-P energy: -109.973 bonds (distance) P-C4' energy: -123.067 flat angles C4'-P-C4' energy: -114.609 flat angles P-C4'-P energy: -72.650 tors. eta vs tors. theta energy: -127.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1522.518308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.518308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.518308 (E_RNA) where: Base-Base interactions energy: -1007.855 where: short stacking energy: -423.721 Base-Backbone interact. energy: 1.718 local terms energy: -516.381559 where: bonds (distance) C4'-P energy: -103.872 bonds (distance) P-C4' energy: -110.062 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -77.723 tors. eta vs tors. theta energy: -117.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1201.540840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.540840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.540840 (E_RNA) where: Base-Base interactions energy: -767.037 where: short stacking energy: -341.264 Base-Backbone interact. energy: -0.450 local terms energy: -434.053909 where: bonds (distance) C4'-P energy: -95.457 bonds (distance) P-C4' energy: -86.990 flat angles C4'-P-C4' energy: -120.884 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: -78.761 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: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -944.462294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.462294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.462294 (E_RNA) where: Base-Base interactions energy: -581.739 where: short stacking energy: -271.016 Base-Backbone interact. energy: -1.857 local terms energy: -360.866905 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -96.207 flat angles C4'-P-C4' energy: -95.452 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -30.291 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: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -2369.028052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.028052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.028052 (E_RNA) where: Base-Base interactions energy: -1684.146 where: short stacking energy: -688.821 Base-Backbone interact. energy: -3.095 local terms energy: -681.787149 where: bonds (distance) C4'-P energy: -106.523 bonds (distance) P-C4' energy: -120.398 flat angles C4'-P-C4' energy: -142.931 flat angles P-C4'-P energy: -110.796 tors. eta vs tors. theta energy: -201.138 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: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2268.383727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.383727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.383727 (E_RNA) where: Base-Base interactions energy: -1589.576 where: short stacking energy: -651.889 Base-Backbone interact. energy: -0.746 local terms energy: -678.061807 where: bonds (distance) C4'-P energy: -116.991 bonds (distance) P-C4' energy: -122.226 flat angles C4'-P-C4' energy: -139.296 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -195.687 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: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2177.993805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.993805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.993805 (E_RNA) where: Base-Base interactions energy: -1505.848 where: short stacking energy: -621.829 Base-Backbone interact. energy: -0.711 local terms energy: -671.434370 where: bonds (distance) C4'-P energy: -121.162 bonds (distance) P-C4' energy: -125.356 flat angles C4'-P-C4' energy: -136.149 flat angles P-C4'-P energy: -93.545 tors. eta vs tors. theta energy: -195.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2104.048546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.048546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.048546 (E_RNA) where: Base-Base interactions energy: -1477.028 where: short stacking energy: -608.836 Base-Backbone interact. energy: -0.842 local terms energy: -626.178470 where: bonds (distance) C4'-P energy: -116.184 bonds (distance) P-C4' energy: -105.217 flat angles C4'-P-C4' energy: -133.296 flat angles P-C4'-P energy: -79.080 tors. eta vs tors. theta energy: -192.402 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: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2008.386656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.386656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.386656 (E_RNA) where: Base-Base interactions energy: -1416.957 where: short stacking energy: -564.278 Base-Backbone interact. energy: -4.522 local terms energy: -586.907769 where: bonds (distance) C4'-P energy: -110.261 bonds (distance) P-C4' energy: -104.601 flat angles C4'-P-C4' energy: -124.814 flat angles P-C4'-P energy: -80.984 tors. eta vs tors. theta energy: -166.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1606.448306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.448306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.448306 (E_RNA) where: Base-Base interactions energy: -1061.913 where: short stacking energy: -456.483 Base-Backbone interact. energy: -1.431 local terms energy: -543.104296 where: bonds (distance) C4'-P energy: -94.449 bonds (distance) P-C4' energy: -105.105 flat angles C4'-P-C4' energy: -127.974 flat angles P-C4'-P energy: -94.470 tors. eta vs tors. theta energy: -121.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1568.563727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.563727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.563727 (E_RNA) where: Base-Base interactions energy: -1059.426 where: short stacking energy: -434.138 Base-Backbone interact. energy: -2.682 local terms energy: -506.455807 where: bonds (distance) C4'-P energy: -101.196 bonds (distance) P-C4' energy: -114.390 flat angles C4'-P-C4' energy: -109.445 flat angles P-C4'-P energy: -60.571 tors. eta vs tors. theta energy: -120.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1548.972650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.972650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.972650 (E_RNA) where: Base-Base interactions energy: -992.643 where: short stacking energy: -420.987 Base-Backbone interact. energy: -3.799 local terms energy: -552.531039 where: bonds (distance) C4'-P energy: -108.606 bonds (distance) P-C4' energy: -128.121 flat angles C4'-P-C4' energy: -127.474 flat angles P-C4'-P energy: -84.449 tors. eta vs tors. theta energy: -103.880 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: 9, replica: 7 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1194.701627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.701627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.701627 (E_RNA) where: Base-Base interactions energy: -759.404 where: short stacking energy: -329.368 Base-Backbone interact. energy: 1.714 local terms energy: -437.010928 where: bonds (distance) C4'-P energy: -89.059 bonds (distance) P-C4' energy: -101.092 flat angles C4'-P-C4' energy: -104.075 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -81.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -930.561241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.561241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.561241 (E_RNA) where: Base-Base interactions energy: -555.112 where: short stacking energy: -268.883 Base-Backbone interact. energy: 9.521 local terms energy: -384.969606 where: bonds (distance) C4'-P energy: -97.261 bonds (distance) P-C4' energy: -104.842 flat angles C4'-P-C4' energy: -97.280 flat angles P-C4'-P energy: -54.774 tors. eta vs tors. theta energy: -30.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -2360.745497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.745497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.745497 (E_RNA) where: Base-Base interactions energy: -1684.719 where: short stacking energy: -711.013 Base-Backbone interact. energy: -0.138 local terms energy: -675.888878 where: bonds (distance) C4'-P energy: -115.899 bonds (distance) P-C4' energy: -121.140 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -98.031 tors. eta vs tors. theta energy: -201.692 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: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2226.867969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.867969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.867969 (E_RNA) where: Base-Base interactions energy: -1574.950 where: short stacking energy: -628.409 Base-Backbone interact. energy: 0.640 local terms energy: -652.557073 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -113.194 flat angles C4'-P-C4' energy: -147.049 flat angles P-C4'-P energy: -96.188 tors. eta vs tors. theta energy: -179.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2166.398917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.398917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.398917 (E_RNA) where: Base-Base interactions energy: -1523.746 where: short stacking energy: -612.123 Base-Backbone interact. energy: -0.473 local terms energy: -642.180797 where: bonds (distance) C4'-P energy: -102.006 bonds (distance) P-C4' energy: -111.502 flat angles C4'-P-C4' energy: -144.948 flat angles P-C4'-P energy: -91.419 tors. eta vs tors. theta energy: -192.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2102.859735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.859735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.859735 (E_RNA) where: Base-Base interactions energy: -1472.674 where: short stacking energy: -599.905 Base-Backbone interact. energy: -2.004 local terms energy: -628.182113 where: bonds (distance) C4'-P energy: -114.676 bonds (distance) P-C4' energy: -104.422 flat angles C4'-P-C4' energy: -132.630 flat angles P-C4'-P energy: -88.873 tors. eta vs tors. theta energy: -187.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1995.376961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.376961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.376961 (E_RNA) where: Base-Base interactions energy: -1417.131 where: short stacking energy: -576.061 Base-Backbone interact. energy: -1.610 local terms energy: -576.636168 where: bonds (distance) C4'-P energy: -103.055 bonds (distance) P-C4' energy: -116.243 flat angles C4'-P-C4' energy: -106.957 flat angles P-C4'-P energy: -76.971 tors. eta vs tors. theta energy: -173.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1641.350003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.350003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.350003 (E_RNA) where: Base-Base interactions energy: -1126.543 where: short stacking energy: -478.009 Base-Backbone interact. energy: 0.174 local terms energy: -514.980925 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -110.162 flat angles C4'-P-C4' energy: -122.166 flat angles P-C4'-P energy: -70.247 tors. eta vs tors. theta energy: -109.113 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: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1626.503018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.503018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.503018 (E_RNA) where: Base-Base interactions energy: -1085.996 where: short stacking energy: -440.832 Base-Backbone interact. energy: -2.461 local terms energy: -538.045848 where: bonds (distance) C4'-P energy: -97.902 bonds (distance) P-C4' energy: -110.792 flat angles C4'-P-C4' energy: -131.795 flat angles P-C4'-P energy: -80.741 tors. eta vs tors. theta energy: -116.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1493.492160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.492160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.492160 (E_RNA) where: Base-Base interactions energy: -997.214 where: short stacking energy: -398.054 Base-Backbone interact. energy: 3.718 local terms energy: -499.995772 where: bonds (distance) C4'-P energy: -87.724 bonds (distance) P-C4' energy: -114.947 flat angles C4'-P-C4' energy: -121.834 flat angles P-C4'-P energy: -83.164 tors. eta vs tors. theta energy: -92.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1176.642290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.642290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.642290 (E_RNA) where: Base-Base interactions energy: -754.720 where: short stacking energy: -337.833 Base-Backbone interact. energy: -1.002 local terms energy: -420.920104 where: bonds (distance) C4'-P energy: -91.708 bonds (distance) P-C4' energy: -100.922 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -58.035 tors. eta vs tors. theta energy: -75.981 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: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -960.085876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.085876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.085876 (E_RNA) where: Base-Base interactions energy: -540.865 where: short stacking energy: -241.729 Base-Backbone interact. energy: -0.881 local terms energy: -418.339582 where: bonds (distance) C4'-P energy: -109.994 bonds (distance) P-C4' energy: -105.092 flat angles C4'-P-C4' energy: -88.330 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -36.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -2379.140137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.140137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.140137 (E_RNA) where: Base-Base interactions energy: -1687.011 where: short stacking energy: -668.475 Base-Backbone interact. energy: 1.136 local terms energy: -693.265509 where: bonds (distance) C4'-P energy: -115.491 bonds (distance) P-C4' energy: -128.280 flat angles C4'-P-C4' energy: -147.042 flat angles P-C4'-P energy: -96.946 tors. eta vs tors. theta energy: -205.506 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: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2204.237043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.237043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.237043 (E_RNA) where: Base-Base interactions energy: -1529.232 where: short stacking energy: -611.756 Base-Backbone interact. energy: -1.250 local terms energy: -673.755569 where: bonds (distance) C4'-P energy: -121.420 bonds (distance) P-C4' energy: -119.861 flat angles C4'-P-C4' energy: -150.987 flat angles P-C4'-P energy: -86.258 tors. eta vs tors. theta energy: -195.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2188.516542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.516542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.516542 (E_RNA) where: Base-Base interactions energy: -1543.234 where: short stacking energy: -622.743 Base-Backbone interact. energy: -0.592 local terms energy: -644.690471 where: bonds (distance) C4'-P energy: -118.990 bonds (distance) P-C4' energy: -115.843 flat angles C4'-P-C4' energy: -145.058 flat angles P-C4'-P energy: -80.542 tors. eta vs tors. theta energy: -184.257 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: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2090.229974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.229974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.229974 (E_RNA) where: Base-Base interactions energy: -1439.142 where: short stacking energy: -584.181 Base-Backbone interact. energy: -0.039 local terms energy: -651.049649 where: bonds (distance) C4'-P energy: -102.725 bonds (distance) P-C4' energy: -110.613 flat angles C4'-P-C4' energy: -150.138 flat angles P-C4'-P energy: -102.069 tors. eta vs tors. theta energy: -185.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1994.695005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.695005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.695005 (E_RNA) where: Base-Base interactions energy: -1402.892 where: short stacking energy: -577.074 Base-Backbone interact. energy: -0.286 local terms energy: -591.517331 where: bonds (distance) C4'-P energy: -102.922 bonds (distance) P-C4' energy: -104.698 flat angles C4'-P-C4' energy: -116.785 flat angles P-C4'-P energy: -98.061 tors. eta vs tors. theta energy: -169.051 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: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1631.480603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.480603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.480603 (E_RNA) where: Base-Base interactions energy: -1104.819 where: short stacking energy: -485.169 Base-Backbone interact. energy: -0.038 local terms energy: -526.624063 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -114.410 flat angles C4'-P-C4' energy: -117.837 flat angles P-C4'-P energy: -75.216 tors. eta vs tors. theta energy: -125.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1611.432236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.432236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.432236 (E_RNA) where: Base-Base interactions energy: -1076.389 where: short stacking energy: -461.193 Base-Backbone interact. energy: 1.861 local terms energy: -536.903874 where: bonds (distance) C4'-P energy: -118.585 bonds (distance) P-C4' energy: -108.284 flat angles C4'-P-C4' energy: -120.641 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: -117.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1506.039832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.039832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.039832 (E_RNA) where: Base-Base interactions energy: -1022.391 where: short stacking energy: -410.574 Base-Backbone interact. energy: -1.096 local terms energy: -482.552905 where: bonds (distance) C4'-P energy: -92.949 bonds (distance) P-C4' energy: -100.562 flat angles C4'-P-C4' energy: -123.837 flat angles P-C4'-P energy: -66.772 tors. eta vs tors. theta energy: -98.433 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: 7 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1172.382185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.382185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.382185 (E_RNA) where: Base-Base interactions energy: -728.940 where: short stacking energy: -325.191 Base-Backbone interact. energy: -1.150 local terms energy: -442.292197 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -98.114 flat angles C4'-P-C4' energy: -112.329 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -49.759 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: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -980.414838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.414838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.414838 (E_RNA) where: Base-Base interactions energy: -602.884 where: short stacking energy: -249.082 Base-Backbone interact. energy: 5.608 local terms energy: -383.139242 where: bonds (distance) C4'-P energy: -96.670 bonds (distance) P-C4' energy: -122.607 flat angles C4'-P-C4' energy: -83.685 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -34.184 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: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -2347.437359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.437359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.437359 (E_RNA) where: Base-Base interactions energy: -1640.052 where: short stacking energy: -667.726 Base-Backbone interact. energy: -2.306 local terms energy: -705.079768 where: bonds (distance) C4'-P energy: -131.921 bonds (distance) P-C4' energy: -129.536 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -90.173 tors. eta vs tors. theta energy: -209.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2220.108708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.108708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.108708 (E_RNA) where: Base-Base interactions energy: -1535.739 where: short stacking energy: -630.635 Base-Backbone interact. energy: 2.474 local terms energy: -686.843883 where: bonds (distance) C4'-P energy: -130.123 bonds (distance) P-C4' energy: -117.230 flat angles C4'-P-C4' energy: -134.622 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -205.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2145.356225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.356225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.356225 (E_RNA) where: Base-Base interactions energy: -1513.804 where: short stacking energy: -629.049 Base-Backbone interact. energy: 0.805 local terms energy: -632.357045 where: bonds (distance) C4'-P energy: -114.501 bonds (distance) P-C4' energy: -113.649 flat angles C4'-P-C4' energy: -137.992 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -174.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2061.536900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.536900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.536900 (E_RNA) where: Base-Base interactions energy: -1426.316 where: short stacking energy: -570.583 Base-Backbone interact. energy: -2.001 local terms energy: -633.219702 where: bonds (distance) C4'-P energy: -132.772 bonds (distance) P-C4' energy: -106.285 flat angles C4'-P-C4' energy: -135.706 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -177.389 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: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2022.461796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.461796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.461796 (E_RNA) where: Base-Base interactions energy: -1423.469 where: short stacking energy: -563.512 Base-Backbone interact. energy: 2.508 local terms energy: -601.500922 where: bonds (distance) C4'-P energy: -114.024 bonds (distance) P-C4' energy: -102.179 flat angles C4'-P-C4' energy: -130.952 flat angles P-C4'-P energy: -76.609 tors. eta vs tors. theta energy: -177.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1634.558400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.558400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.558400 (E_RNA) where: Base-Base interactions energy: -1096.296 where: short stacking energy: -485.814 Base-Backbone interact. energy: 0.483 local terms energy: -538.745573 where: bonds (distance) C4'-P energy: -94.772 bonds (distance) P-C4' energy: -111.538 flat angles C4'-P-C4' energy: -114.718 flat angles P-C4'-P energy: -80.213 tors. eta vs tors. theta energy: -137.505 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: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1569.153164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.153164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.153164 (E_RNA) where: Base-Base interactions energy: -1056.492 where: short stacking energy: -457.004 Base-Backbone interact. energy: -1.290 local terms energy: -511.371577 where: bonds (distance) C4'-P energy: -102.497 bonds (distance) P-C4' energy: -99.943 flat angles C4'-P-C4' energy: -104.637 flat angles P-C4'-P energy: -78.121 tors. eta vs tors. theta energy: -126.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1504.456632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.456632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.456632 (E_RNA) where: Base-Base interactions energy: -1011.497 where: short stacking energy: -416.207 Base-Backbone interact. energy: -3.699 local terms energy: -489.260535 where: bonds (distance) C4'-P energy: -88.061 bonds (distance) P-C4' energy: -100.046 flat angles C4'-P-C4' energy: -119.545 flat angles P-C4'-P energy: -75.032 tors. eta vs tors. theta energy: -106.576 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: 7 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1207.728812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.728812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.728812 (E_RNA) where: Base-Base interactions energy: -796.185 where: short stacking energy: -330.427 Base-Backbone interact. energy: -0.382 local terms energy: -411.161718 where: bonds (distance) C4'-P energy: -82.773 bonds (distance) P-C4' energy: -105.587 flat angles C4'-P-C4' energy: -94.563 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -68.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -989.093041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.093041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.093041 (E_RNA) where: Base-Base interactions energy: -599.123 where: short stacking energy: -283.096 Base-Backbone interact. energy: 1.391 local terms energy: -391.360665 where: bonds (distance) C4'-P energy: -93.255 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -105.951 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -68.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -2354.647188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.647188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.647188 (E_RNA) where: Base-Base interactions energy: -1661.504 where: short stacking energy: -664.233 Base-Backbone interact. energy: -1.360 local terms energy: -691.782895 where: bonds (distance) C4'-P energy: -118.887 bonds (distance) P-C4' energy: -126.559 flat angles C4'-P-C4' energy: -134.201 flat angles P-C4'-P energy: -99.334 tors. eta vs tors. theta energy: -212.802 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: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -2222.258815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.258815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.258815 (E_RNA) where: Base-Base interactions energy: -1554.991 where: short stacking energy: -632.159 Base-Backbone interact. energy: -2.508 local terms energy: -664.759647 where: bonds (distance) C4'-P energy: -108.187 bonds (distance) P-C4' energy: -125.984 flat angles C4'-P-C4' energy: -136.814 flat angles P-C4'-P energy: -102.276 tors. eta vs tors. theta energy: -191.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2186.786212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.786212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.786212 (E_RNA) where: Base-Base interactions energy: -1530.095 where: short stacking energy: -618.395 Base-Backbone interact. energy: -0.639 local terms energy: -656.052241 where: bonds (distance) C4'-P energy: -122.278 bonds (distance) P-C4' energy: -111.552 flat angles C4'-P-C4' energy: -127.636 flat angles P-C4'-P energy: -102.614 tors. eta vs tors. theta energy: -191.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2061.313231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.313231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.313231 (E_RNA) where: Base-Base interactions energy: -1431.636 where: short stacking energy: -575.204 Base-Backbone interact. energy: -2.012 local terms energy: -627.665239 where: bonds (distance) C4'-P energy: -112.937 bonds (distance) P-C4' energy: -118.609 flat angles C4'-P-C4' energy: -134.312 flat angles P-C4'-P energy: -79.097 tors. eta vs tors. theta energy: -182.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2013.229282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.229282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.229282 (E_RNA) where: Base-Base interactions energy: -1389.928 where: short stacking energy: -570.885 Base-Backbone interact. energy: -3.007 local terms energy: -620.294747 where: bonds (distance) C4'-P energy: -119.601 bonds (distance) P-C4' energy: -109.687 flat angles C4'-P-C4' energy: -131.702 flat angles P-C4'-P energy: -86.921 tors. eta vs tors. theta energy: -172.384 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: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1618.671718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.671718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.671718 (E_RNA) where: Base-Base interactions energy: -1103.927 where: short stacking energy: -478.472 Base-Backbone interact. energy: -0.491 local terms energy: -514.254113 where: bonds (distance) C4'-P energy: -100.769 bonds (distance) P-C4' energy: -96.388 flat angles C4'-P-C4' energy: -114.366 flat angles P-C4'-P energy: -83.547 tors. eta vs tors. theta energy: -119.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1589.234515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.234515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.234515 (E_RNA) where: Base-Base interactions energy: -1069.938 where: short stacking energy: -451.841 Base-Backbone interact. energy: -2.324 local terms energy: -516.971959 where: bonds (distance) C4'-P energy: -102.991 bonds (distance) P-C4' energy: -115.124 flat angles C4'-P-C4' energy: -117.371 flat angles P-C4'-P energy: -66.412 tors. eta vs tors. theta energy: -115.073 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: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1553.570590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.570590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.570590 (E_RNA) where: Base-Base interactions energy: -1075.603 where: short stacking energy: -434.558 Base-Backbone interact. energy: 1.335 local terms energy: -479.302595 where: bonds (distance) C4'-P energy: -93.242 bonds (distance) P-C4' energy: -113.039 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -65.430 tors. eta vs tors. theta energy: -106.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1192.108165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.108165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.108165 (E_RNA) where: Base-Base interactions energy: -736.582 where: short stacking energy: -328.927 Base-Backbone interact. energy: -1.696 local terms energy: -453.829837 where: bonds (distance) C4'-P energy: -108.565 bonds (distance) P-C4' energy: -106.153 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -59.532 tors. eta vs tors. theta energy: -77.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -991.567624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.567624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.567624 (E_RNA) where: Base-Base interactions energy: -599.036 where: short stacking energy: -285.516 Base-Backbone interact. energy: 8.722 local terms energy: -401.253986 where: bonds (distance) C4'-P energy: -109.274 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -99.074 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -44.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -2375.777500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.777500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.777500 (E_RNA) where: Base-Base interactions energy: -1665.364 where: short stacking energy: -681.667 Base-Backbone interact. energy: -2.021 local terms energy: -708.392611 where: bonds (distance) C4'-P energy: -121.859 bonds (distance) P-C4' energy: -138.415 flat angles C4'-P-C4' energy: -134.128 flat angles P-C4'-P energy: -98.813 tors. eta vs tors. theta energy: -215.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2196.509011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.509011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.509011 (E_RNA) where: Base-Base interactions energy: -1519.979 where: short stacking energy: -606.224 Base-Backbone interact. energy: -2.834 local terms energy: -673.695932 where: bonds (distance) C4'-P energy: -114.998 bonds (distance) P-C4' energy: -126.074 flat angles C4'-P-C4' energy: -136.438 flat angles P-C4'-P energy: -95.929 tors. eta vs tors. theta energy: -200.257 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2077.132834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.132834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.132834 (E_RNA) where: Base-Base interactions energy: -1430.499 where: short stacking energy: -587.347 Base-Backbone interact. energy: -0.435 local terms energy: -646.199257 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -121.997 flat angles C4'-P-C4' energy: -138.104 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -180.426 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: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2108.636704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.636704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.636704 (E_RNA) where: Base-Base interactions energy: -1484.864 where: short stacking energy: -599.821 Base-Backbone interact. energy: -0.442 local terms energy: -623.331252 where: bonds (distance) C4'-P energy: -113.616 bonds (distance) P-C4' energy: -115.693 flat angles C4'-P-C4' energy: -135.935 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -176.692 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: 10 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2006.238763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.238763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.238763 (E_RNA) where: Base-Base interactions energy: -1415.199 where: short stacking energy: -593.102 Base-Backbone interact. energy: -1.738 local terms energy: -589.301731 where: bonds (distance) C4'-P energy: -118.891 bonds (distance) P-C4' energy: -105.660 flat angles C4'-P-C4' energy: -133.716 flat angles P-C4'-P energy: -56.839 tors. eta vs tors. theta energy: -174.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1653.357695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.357695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.357695 (E_RNA) where: Base-Base interactions energy: -1133.844 where: short stacking energy: -471.252 Base-Backbone interact. energy: -1.576 local terms energy: -517.938450 where: bonds (distance) C4'-P energy: -105.935 bonds (distance) P-C4' energy: -114.417 flat angles C4'-P-C4' energy: -111.448 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -123.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1587.050446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.050446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.050446 (E_RNA) where: Base-Base interactions energy: -1064.039 where: short stacking energy: -447.612 Base-Backbone interact. energy: 0.092 local terms energy: -523.103550 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -112.760 flat angles C4'-P-C4' energy: -117.768 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -123.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1550.843486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.843486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.843486 (E_RNA) where: Base-Base interactions energy: -1068.415 where: short stacking energy: -472.076 Base-Backbone interact. energy: 1.251 local terms energy: -483.678989 where: bonds (distance) C4'-P energy: -93.836 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -99.911 flat angles P-C4'-P energy: -54.118 tors. eta vs tors. theta energy: -126.237 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: 7 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1228.068643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.068643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.068643 (E_RNA) where: Base-Base interactions energy: -808.491 where: short stacking energy: -351.221 Base-Backbone interact. energy: -2.802 local terms energy: -416.775912 where: bonds (distance) C4'-P energy: -84.245 bonds (distance) P-C4' energy: -96.551 flat angles C4'-P-C4' energy: -113.654 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -57.400 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: 3 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -941.696812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.696812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.696812 (E_RNA) where: Base-Base interactions energy: -567.240 where: short stacking energy: -250.497 Base-Backbone interact. energy: 4.585 local terms energy: -379.042144 where: bonds (distance) C4'-P energy: -107.646 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -87.257 flat angles P-C4'-P energy: -62.834 tors. eta vs tors. theta energy: -30.977 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: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -2372.210330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.210330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.210330 (E_RNA) where: Base-Base interactions energy: -1670.607 where: short stacking energy: -664.364 Base-Backbone interact. energy: -1.574 local terms energy: -700.029049 where: bonds (distance) C4'-P energy: -119.508 bonds (distance) P-C4' energy: -123.107 flat angles C4'-P-C4' energy: -146.309 flat angles P-C4'-P energy: -99.873 tors. eta vs tors. theta energy: -211.232 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: 437 Temperature: 0.950000 Total energy: -2231.916312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.916312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.916312 (E_RNA) where: Base-Base interactions energy: -1563.321 where: short stacking energy: -646.594 Base-Backbone interact. energy: -1.470 local terms energy: -667.125814 where: bonds (distance) C4'-P energy: -125.777 bonds (distance) P-C4' energy: -110.134 flat angles C4'-P-C4' energy: -140.957 flat angles P-C4'-P energy: -89.301 tors. eta vs tors. theta energy: -200.956 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: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2123.039108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.039108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.039108 (E_RNA) where: Base-Base interactions energy: -1479.448 where: short stacking energy: -594.483 Base-Backbone interact. energy: -0.820 local terms energy: -642.771741 where: bonds (distance) C4'-P energy: -111.930 bonds (distance) P-C4' energy: -111.952 flat angles C4'-P-C4' energy: -136.303 flat angles P-C4'-P energy: -99.640 tors. eta vs tors. theta energy: -182.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2143.814766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.814766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.814766 (E_RNA) where: Base-Base interactions energy: -1506.916 where: short stacking energy: -610.655 Base-Backbone interact. energy: -1.271 local terms energy: -635.627559 where: bonds (distance) C4'-P energy: -115.904 bonds (distance) P-C4' energy: -111.659 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -88.227 tors. eta vs tors. theta energy: -178.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2011.968354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.968354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.968354 (E_RNA) where: Base-Base interactions energy: -1380.408 where: short stacking energy: -567.134 Base-Backbone interact. energy: -3.318 local terms energy: -628.242304 where: bonds (distance) C4'-P energy: -123.383 bonds (distance) P-C4' energy: -114.119 flat angles C4'-P-C4' energy: -118.949 flat angles P-C4'-P energy: -82.650 tors. eta vs tors. theta energy: -189.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1660.154602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.154602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.154602 (E_RNA) where: Base-Base interactions energy: -1123.407 where: short stacking energy: -473.553 Base-Backbone interact. energy: 0.481 local terms energy: -537.228459 where: bonds (distance) C4'-P energy: -117.753 bonds (distance) P-C4' energy: -107.941 flat angles C4'-P-C4' energy: -117.204 flat angles P-C4'-P energy: -66.460 tors. eta vs tors. theta energy: -127.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1571.501586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.501586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.501586 (E_RNA) where: Base-Base interactions energy: -1048.534 where: short stacking energy: -433.159 Base-Backbone interact. energy: -1.940 local terms energy: -521.027042 where: bonds (distance) C4'-P energy: -101.432 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -117.742 flat angles P-C4'-P energy: -85.649 tors. eta vs tors. theta energy: -117.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1513.998980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.998980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.998980 (E_RNA) where: Base-Base interactions energy: -1032.063 where: short stacking energy: -430.113 Base-Backbone interact. energy: -0.166 local terms energy: -481.769924 where: bonds (distance) C4'-P energy: -82.294 bonds (distance) P-C4' energy: -111.820 flat angles C4'-P-C4' energy: -102.038 flat angles P-C4'-P energy: -71.607 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: 9, replica: 7 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1136.853136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.853136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.853136 (E_RNA) where: Base-Base interactions energy: -747.138 where: short stacking energy: -320.543 Base-Backbone interact. energy: 3.713 local terms energy: -393.427803 where: bonds (distance) C4'-P energy: -85.289 bonds (distance) P-C4' energy: -91.362 flat angles C4'-P-C4' energy: -101.820 flat angles P-C4'-P energy: -57.347 tors. eta vs tors. theta energy: -57.610 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: 10, replica: 3 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1007.289449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.289449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.289449 (E_RNA) where: Base-Base interactions energy: -596.070 where: short stacking energy: -288.127 Base-Backbone interact. energy: 0.015 local terms energy: -411.234418 where: bonds (distance) C4'-P energy: -105.874 bonds (distance) P-C4' energy: -100.565 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -66.819 tors. eta vs tors. theta energy: -45.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -2385.272125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.272125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.272125 (E_RNA) where: Base-Base interactions energy: -1666.100 where: short stacking energy: -680.712 Base-Backbone interact. energy: -0.862 local terms energy: -718.310582 where: bonds (distance) C4'-P energy: -123.859 bonds (distance) P-C4' energy: -135.625 flat angles C4'-P-C4' energy: -139.297 flat angles P-C4'-P energy: -105.698 tors. eta vs tors. theta energy: -213.832 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: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2219.806170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.806170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.806170 (E_RNA) where: Base-Base interactions energy: -1556.059 where: short stacking energy: -647.451 Base-Backbone interact. energy: -2.065 local terms energy: -661.682105 where: bonds (distance) C4'-P energy: -112.531 bonds (distance) P-C4' energy: -130.248 flat angles C4'-P-C4' energy: -126.515 flat angles P-C4'-P energy: -95.155 tors. eta vs tors. theta energy: -197.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2183.834176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.834176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.834176 (E_RNA) where: Base-Base interactions energy: -1548.067 where: short stacking energy: -616.288 Base-Backbone interact. energy: -0.510 local terms energy: -635.257059 where: bonds (distance) C4'-P energy: -107.407 bonds (distance) P-C4' energy: -105.550 flat angles C4'-P-C4' energy: -151.803 flat angles P-C4'-P energy: -84.400 tors. eta vs tors. theta energy: -186.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2097.618079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.618079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.618079 (E_RNA) where: Base-Base interactions energy: -1461.571 where: short stacking energy: -588.944 Base-Backbone interact. energy: -1.022 local terms energy: -635.025209 where: bonds (distance) C4'-P energy: -94.563 bonds (distance) P-C4' energy: -126.209 flat angles C4'-P-C4' energy: -131.683 flat angles P-C4'-P energy: -94.117 tors. eta vs tors. theta energy: -188.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2002.891394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.891394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.891394 (E_RNA) where: Base-Base interactions energy: -1387.314 where: short stacking energy: -561.530 Base-Backbone interact. energy: 1.838 local terms energy: -617.415045 where: bonds (distance) C4'-P energy: -120.775 bonds (distance) P-C4' energy: -113.834 flat angles C4'-P-C4' energy: -115.324 flat angles P-C4'-P energy: -89.754 tors. eta vs tors. theta energy: -177.729 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: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1736.893298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.893298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.893298 (E_RNA) where: Base-Base interactions energy: -1190.473 where: short stacking energy: -499.466 Base-Backbone interact. energy: -2.295 local terms energy: -544.125075 where: bonds (distance) C4'-P energy: -102.382 bonds (distance) P-C4' energy: -97.959 flat angles C4'-P-C4' energy: -120.362 flat angles P-C4'-P energy: -81.501 tors. eta vs tors. theta energy: -141.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1609.871547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.871547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.871547 (E_RNA) where: Base-Base interactions energy: -1090.682 where: short stacking energy: -477.861 Base-Backbone interact. energy: -0.965 local terms energy: -518.223931 where: bonds (distance) C4'-P energy: -90.774 bonds (distance) P-C4' energy: -112.498 flat angles C4'-P-C4' energy: -107.756 flat angles P-C4'-P energy: -73.787 tors. eta vs tors. theta energy: -133.410 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: 438 Temperature: 1.250000 Total energy: -1494.645046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.645046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.645046 (E_RNA) where: Base-Base interactions energy: -996.305 where: short stacking energy: -386.238 Base-Backbone interact. energy: -1.357 local terms energy: -496.983411 where: bonds (distance) C4'-P energy: -98.594 bonds (distance) P-C4' energy: -109.541 flat angles C4'-P-C4' energy: -120.703 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -91.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1196.712979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.712979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.712979 (E_RNA) where: Base-Base interactions energy: -765.922 where: short stacking energy: -334.094 Base-Backbone interact. energy: 4.113 local terms energy: -434.903481 where: bonds (distance) C4'-P energy: -113.193 bonds (distance) P-C4' energy: -85.740 flat angles C4'-P-C4' energy: -106.172 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -62.355 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: 3 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -892.129279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.129279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.129279 (E_RNA) where: Base-Base interactions energy: -513.612 where: short stacking energy: -273.827 Base-Backbone interact. energy: 6.793 local terms energy: -385.309527 where: bonds (distance) C4'-P energy: -90.641 bonds (distance) P-C4' energy: -98.665 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -64.459 tors. eta vs tors. theta energy: -35.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -2359.769222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.769222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.769222 (E_RNA) where: Base-Base interactions energy: -1651.931 where: short stacking energy: -653.948 Base-Backbone interact. energy: -1.011 local terms energy: -706.827250 where: bonds (distance) C4'-P energy: -118.608 bonds (distance) P-C4' energy: -129.460 flat angles C4'-P-C4' energy: -150.565 flat angles P-C4'-P energy: -100.254 tors. eta vs tors. theta energy: -207.940 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: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2245.329248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.329248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.329248 (E_RNA) where: Base-Base interactions energy: -1571.045 where: short stacking energy: -658.751 Base-Backbone interact. energy: -0.954 local terms energy: -673.329835 where: bonds (distance) C4'-P energy: -118.246 bonds (distance) P-C4' energy: -117.150 flat angles C4'-P-C4' energy: -143.472 flat angles P-C4'-P energy: -95.245 tors. eta vs tors. theta energy: -199.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2209.675900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.675900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.675900 (E_RNA) where: Base-Base interactions energy: -1542.091 where: short stacking energy: -643.295 Base-Backbone interact. energy: -2.747 local terms energy: -664.838268 where: bonds (distance) C4'-P energy: -103.450 bonds (distance) P-C4' energy: -123.930 flat angles C4'-P-C4' energy: -137.005 flat angles P-C4'-P energy: -101.563 tors. eta vs tors. theta energy: -198.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2100.639180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.639180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.639180 (E_RNA) where: Base-Base interactions energy: -1457.470 where: short stacking energy: -566.351 Base-Backbone interact. energy: -1.479 local terms energy: -641.690193 where: bonds (distance) C4'-P energy: -121.564 bonds (distance) P-C4' energy: -111.239 flat angles C4'-P-C4' energy: -138.556 flat angles P-C4'-P energy: -90.874 tors. eta vs tors. theta energy: -179.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2010.765010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.765010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.765010 (E_RNA) where: Base-Base interactions energy: -1399.070 where: short stacking energy: -578.912 Base-Backbone interact. energy: -3.894 local terms energy: -607.801256 where: bonds (distance) C4'-P energy: -111.757 bonds (distance) P-C4' energy: -115.054 flat angles C4'-P-C4' energy: -130.830 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -181.010 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: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1760.077573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.077573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.077573 (E_RNA) where: Base-Base interactions energy: -1192.398 where: short stacking energy: -491.490 Base-Backbone interact. energy: -1.818 local terms energy: -565.861484 where: bonds (distance) C4'-P energy: -116.512 bonds (distance) P-C4' energy: -95.643 flat angles C4'-P-C4' energy: -132.206 flat angles P-C4'-P energy: -80.636 tors. eta vs tors. theta energy: -140.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1599.825007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.825007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.825007 (E_RNA) where: Base-Base interactions energy: -1057.358 where: short stacking energy: -430.682 Base-Backbone interact. energy: 0.185 local terms energy: -542.652513 where: bonds (distance) C4'-P energy: -104.754 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -135.100 flat angles P-C4'-P energy: -79.125 tors. eta vs tors. theta energy: -106.973 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: 439 Temperature: 1.250000 Total energy: -1460.565541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.565541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.565541 (E_RNA) where: Base-Base interactions energy: -992.600 where: short stacking energy: -395.538 Base-Backbone interact. energy: -0.383 local terms energy: -467.582282 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -98.674 flat angles C4'-P-C4' energy: -116.676 flat angles P-C4'-P energy: -66.650 tors. eta vs tors. theta energy: -87.159 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: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1166.086168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.086168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.086168 (E_RNA) where: Base-Base interactions energy: -725.560 where: short stacking energy: -328.794 Base-Backbone interact. energy: -0.482 local terms energy: -440.043418 where: bonds (distance) C4'-P energy: -85.511 bonds (distance) P-C4' energy: -116.818 flat angles C4'-P-C4' energy: -111.467 flat angles P-C4'-P energy: -65.776 tors. eta vs tors. theta energy: -60.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -858.967769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.967769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.967769 (E_RNA) where: Base-Base interactions energy: -495.303 where: short stacking energy: -252.305 Base-Backbone interact. energy: -0.264 local terms energy: -363.400562 where: bonds (distance) C4'-P energy: -95.835 bonds (distance) P-C4' energy: -106.604 flat angles C4'-P-C4' energy: -80.380 flat angles P-C4'-P energy: -69.105 tors. eta vs tors. theta energy: -11.477 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: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -2364.881178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.881178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.881178 (E_RNA) where: Base-Base interactions energy: -1650.730 where: short stacking energy: -680.385 Base-Backbone interact. energy: -0.979 local terms energy: -713.172374 where: bonds (distance) C4'-P energy: -130.135 bonds (distance) P-C4' energy: -128.149 flat angles C4'-P-C4' energy: -141.026 flat angles P-C4'-P energy: -101.224 tors. eta vs tors. theta energy: -212.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2249.895084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.895084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.895084 (E_RNA) where: Base-Base interactions energy: -1578.646 where: short stacking energy: -636.200 Base-Backbone interact. energy: -4.154 local terms energy: -667.095031 where: bonds (distance) C4'-P energy: -112.721 bonds (distance) P-C4' energy: -121.918 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -97.041 tors. eta vs tors. theta energy: -197.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2169.095184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.095184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.095184 (E_RNA) where: Base-Base interactions energy: -1552.651 where: short stacking energy: -626.658 Base-Backbone interact. energy: 6.916 local terms energy: -623.360357 where: bonds (distance) C4'-P energy: -113.306 bonds (distance) P-C4' energy: -115.449 flat angles C4'-P-C4' energy: -134.600 flat angles P-C4'-P energy: -80.383 tors. eta vs tors. theta energy: -179.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2088.512113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.512113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.512113 (E_RNA) where: Base-Base interactions energy: -1485.795 where: short stacking energy: -596.187 Base-Backbone interact. energy: -0.705 local terms energy: -602.011932 where: bonds (distance) C4'-P energy: -92.411 bonds (distance) P-C4' energy: -115.400 flat angles C4'-P-C4' energy: -130.627 flat angles P-C4'-P energy: -81.857 tors. eta vs tors. theta energy: -181.716 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: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2011.892270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.892270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.892270 (E_RNA) where: Base-Base interactions energy: -1396.766 where: short stacking energy: -576.130 Base-Backbone interact. energy: -2.498 local terms energy: -612.628431 where: bonds (distance) C4'-P energy: -103.203 bonds (distance) P-C4' energy: -114.744 flat angles C4'-P-C4' energy: -131.848 flat angles P-C4'-P energy: -83.554 tors. eta vs tors. theta energy: -179.280 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: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1674.413370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.413370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.413370 (E_RNA) where: Base-Base interactions energy: -1113.377 where: short stacking energy: -480.182 Base-Backbone interact. energy: -0.012 local terms energy: -561.024583 where: bonds (distance) C4'-P energy: -102.168 bonds (distance) P-C4' energy: -114.817 flat angles C4'-P-C4' energy: -113.796 flat angles P-C4'-P energy: -84.730 tors. eta vs tors. theta energy: -145.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1594.184203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.184203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.184203 (E_RNA) where: Base-Base interactions energy: -1038.046 where: short stacking energy: -459.565 Base-Backbone interact. energy: -3.336 local terms energy: -552.802292 where: bonds (distance) C4'-P energy: -120.091 bonds (distance) P-C4' energy: -115.586 flat angles C4'-P-C4' energy: -112.104 flat angles P-C4'-P energy: -93.925 tors. eta vs tors. theta energy: -111.097 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: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1527.578046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.578046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.578046 (E_RNA) where: Base-Base interactions energy: -1014.672 where: short stacking energy: -434.117 Base-Backbone interact. energy: -1.586 local terms energy: -511.320153 where: bonds (distance) C4'-P energy: -80.091 bonds (distance) P-C4' energy: -105.066 flat angles C4'-P-C4' energy: -117.080 flat angles P-C4'-P energy: -77.058 tors. eta vs tors. theta energy: -132.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1168.372827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.372827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.372827 (E_RNA) where: Base-Base interactions energy: -764.770 where: short stacking energy: -346.510 Base-Backbone interact. energy: 1.044 local terms energy: -404.646852 where: bonds (distance) C4'-P energy: -86.327 bonds (distance) P-C4' energy: -107.250 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -67.211 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: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -858.298959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.298959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.298959 (E_RNA) where: Base-Base interactions energy: -479.433 where: short stacking energy: -252.191 Base-Backbone interact. energy: 2.063 local terms energy: -380.928213 where: bonds (distance) C4'-P energy: -93.963 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -94.574 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -17.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -2368.835795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.835795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.835795 (E_RNA) where: Base-Base interactions energy: -1657.563 where: short stacking energy: -686.463 Base-Backbone interact. energy: -3.850 local terms energy: -707.423190 where: bonds (distance) C4'-P energy: -121.135 bonds (distance) P-C4' energy: -134.784 flat angles C4'-P-C4' energy: -145.955 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -210.707 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: 441 Temperature: 0.950000 Total energy: -2228.088778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.088778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.088778 (E_RNA) where: Base-Base interactions energy: -1563.194 where: short stacking energy: -645.837 Base-Backbone interact. energy: 0.037 local terms energy: -664.931282 where: bonds (distance) C4'-P energy: -121.399 bonds (distance) P-C4' energy: -118.975 flat angles C4'-P-C4' energy: -132.500 flat angles P-C4'-P energy: -92.455 tors. eta vs tors. theta energy: -199.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2182.963489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.963489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.963489 (E_RNA) where: Base-Base interactions energy: -1525.542 where: short stacking energy: -635.443 Base-Backbone interact. energy: -1.931 local terms energy: -655.491407 where: bonds (distance) C4'-P energy: -105.114 bonds (distance) P-C4' energy: -128.465 flat angles C4'-P-C4' energy: -135.247 flat angles P-C4'-P energy: -91.582 tors. eta vs tors. theta energy: -195.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2082.737050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.737050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.737050 (E_RNA) where: Base-Base interactions energy: -1461.478 where: short stacking energy: -612.919 Base-Backbone interact. energy: -1.389 local terms energy: -619.870242 where: bonds (distance) C4'-P energy: -102.564 bonds (distance) P-C4' energy: -115.194 flat angles C4'-P-C4' energy: -131.457 flat angles P-C4'-P energy: -82.683 tors. eta vs tors. theta energy: -187.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2008.286408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.286408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.286408 (E_RNA) where: Base-Base interactions energy: -1394.600 where: short stacking energy: -564.489 Base-Backbone interact. energy: -2.238 local terms energy: -611.448670 where: bonds (distance) C4'-P energy: -103.779 bonds (distance) P-C4' energy: -114.823 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -81.862 tors. eta vs tors. theta energy: -181.673 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: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1683.477819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.477819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.477819 (E_RNA) where: Base-Base interactions energy: -1123.884 where: short stacking energy: -491.942 Base-Backbone interact. energy: 0.133 local terms energy: -559.726942 where: bonds (distance) C4'-P energy: -102.248 bonds (distance) P-C4' energy: -104.603 flat angles C4'-P-C4' energy: -132.918 flat angles P-C4'-P energy: -81.719 tors. eta vs tors. theta energy: -138.239 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1588.367098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.367098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.367098 (E_RNA) where: Base-Base interactions energy: -1048.499 where: short stacking energy: -433.497 Base-Backbone interact. energy: -0.448 local terms energy: -539.419887 where: bonds (distance) C4'-P energy: -111.533 bonds (distance) P-C4' energy: -107.624 flat angles C4'-P-C4' energy: -110.480 flat angles P-C4'-P energy: -81.192 tors. eta vs tors. theta energy: -128.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1523.133612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.133612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.133612 (E_RNA) where: Base-Base interactions energy: -1019.639 where: short stacking energy: -393.665 Base-Backbone interact. energy: 2.152 local terms energy: -505.646671 where: bonds (distance) C4'-P energy: -106.447 bonds (distance) P-C4' energy: -101.591 flat angles C4'-P-C4' energy: -106.557 flat angles P-C4'-P energy: -85.282 tors. eta vs tors. theta energy: -105.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1188.364261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.364261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.364261 (E_RNA) where: Base-Base interactions energy: -760.736 where: short stacking energy: -352.267 Base-Backbone interact. energy: -2.438 local terms energy: -425.190018 where: bonds (distance) C4'-P energy: -102.444 bonds (distance) P-C4' energy: -93.370 flat angles C4'-P-C4' energy: -103.080 flat angles P-C4'-P energy: -57.986 tors. eta vs tors. theta energy: -68.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -958.397289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.397289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.397289 (E_RNA) where: Base-Base interactions energy: -548.133 where: short stacking energy: -251.467 Base-Backbone interact. energy: 1.774 local terms energy: -412.038482 where: bonds (distance) C4'-P energy: -124.439 bonds (distance) P-C4' energy: -89.338 flat angles C4'-P-C4' energy: -105.342 flat angles P-C4'-P energy: -55.884 tors. eta vs tors. theta energy: -37.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -2374.273710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.273710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.273710 (E_RNA) where: Base-Base interactions energy: -1657.227 where: short stacking energy: -692.210 Base-Backbone interact. energy: -2.005 local terms energy: -715.041296 where: bonds (distance) C4'-P energy: -125.542 bonds (distance) P-C4' energy: -127.574 flat angles C4'-P-C4' energy: -148.151 flat angles P-C4'-P energy: -105.267 tors. eta vs tors. theta energy: -208.506 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: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2219.331628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.331628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.331628 (E_RNA) where: Base-Base interactions energy: -1563.690 where: short stacking energy: -646.547 Base-Backbone interact. energy: -1.544 local terms energy: -654.098030 where: bonds (distance) C4'-P energy: -110.673 bonds (distance) P-C4' energy: -113.313 flat angles C4'-P-C4' energy: -138.711 flat angles P-C4'-P energy: -94.979 tors. eta vs tors. theta energy: -196.422 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: 442 Temperature: 1.000000 Total energy: -2194.101309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.101309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.101309 (E_RNA) where: Base-Base interactions energy: -1533.299 where: short stacking energy: -624.146 Base-Backbone interact. energy: -1.738 local terms energy: -659.063749 where: bonds (distance) C4'-P energy: -110.712 bonds (distance) P-C4' energy: -126.697 flat angles C4'-P-C4' energy: -140.157 flat angles P-C4'-P energy: -89.519 tors. eta vs tors. theta energy: -191.978 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: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2130.780541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.780541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.780541 (E_RNA) where: Base-Base interactions energy: -1482.003 where: short stacking energy: -613.618 Base-Backbone interact. energy: 0.137 local terms energy: -648.914316 where: bonds (distance) C4'-P energy: -111.771 bonds (distance) P-C4' energy: -118.207 flat angles C4'-P-C4' energy: -145.350 flat angles P-C4'-P energy: -85.761 tors. eta vs tors. theta energy: -187.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2004.133679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.133679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.133679 (E_RNA) where: Base-Base interactions energy: -1391.257 where: short stacking energy: -554.523 Base-Backbone interact. energy: -3.945 local terms energy: -608.931740 where: bonds (distance) C4'-P energy: -117.606 bonds (distance) P-C4' energy: -116.541 flat angles C4'-P-C4' energy: -110.141 flat angles P-C4'-P energy: -79.039 tors. eta vs tors. theta energy: -185.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1692.906253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.906253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.906253 (E_RNA) where: Base-Base interactions energy: -1157.758 where: short stacking energy: -498.776 Base-Backbone interact. energy: 1.990 local terms energy: -537.138544 where: bonds (distance) C4'-P energy: -98.082 bonds (distance) P-C4' energy: -105.809 flat angles C4'-P-C4' energy: -113.655 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -139.806 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1605.836718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.836718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.836718 (E_RNA) where: Base-Base interactions energy: -1088.402 where: short stacking energy: -470.025 Base-Backbone interact. energy: 3.134 local terms energy: -520.568145 where: bonds (distance) C4'-P energy: -91.955 bonds (distance) P-C4' energy: -102.611 flat angles C4'-P-C4' energy: -121.514 flat angles P-C4'-P energy: -71.459 tors. eta vs tors. theta energy: -133.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1538.745539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.745539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.745539 (E_RNA) where: Base-Base interactions energy: -1023.469 where: short stacking energy: -422.444 Base-Backbone interact. energy: 0.061 local terms energy: -515.337499 where: bonds (distance) C4'-P energy: -104.933 bonds (distance) P-C4' energy: -110.463 flat angles C4'-P-C4' energy: -120.922 flat angles P-C4'-P energy: -69.376 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: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1239.659430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.659430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.659430 (E_RNA) where: Base-Base interactions energy: -818.195 where: short stacking energy: -330.543 Base-Backbone interact. energy: -2.447 local terms energy: -419.017351 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -88.081 flat angles C4'-P-C4' energy: -101.659 flat angles P-C4'-P energy: -65.358 tors. eta vs tors. theta energy: -68.389 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: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -884.139246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.139246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.139246 (E_RNA) where: Base-Base interactions energy: -518.670 where: short stacking energy: -239.242 Base-Backbone interact. energy: 3.032 local terms energy: -368.500615 where: bonds (distance) C4'-P energy: -89.687 bonds (distance) P-C4' energy: -115.826 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -65.345 tors. eta vs tors. theta energy: -23.835 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: 1, replica: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -2367.127451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.127451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.127451 (E_RNA) where: Base-Base interactions energy: -1675.397 where: short stacking energy: -702.596 Base-Backbone interact. energy: -0.273 local terms energy: -691.456643 where: bonds (distance) C4'-P energy: -116.130 bonds (distance) P-C4' energy: -120.967 flat angles C4'-P-C4' energy: -145.230 flat angles P-C4'-P energy: -93.214 tors. eta vs tors. theta energy: -215.916 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: 443 Temperature: 0.950000 Total energy: -2257.895239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.895239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.895239 (E_RNA) where: Base-Base interactions energy: -1577.988 where: short stacking energy: -648.371 Base-Backbone interact. energy: -1.328 local terms energy: -678.578805 where: bonds (distance) C4'-P energy: -128.856 bonds (distance) P-C4' energy: -118.847 flat angles C4'-P-C4' energy: -141.209 flat angles P-C4'-P energy: -92.369 tors. eta vs tors. theta energy: -197.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2172.841661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.841661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.841661 (E_RNA) where: Base-Base interactions energy: -1530.380 where: short stacking energy: -621.509 Base-Backbone interact. energy: -1.499 local terms energy: -640.963157 where: bonds (distance) C4'-P energy: -113.662 bonds (distance) P-C4' energy: -113.813 flat angles C4'-P-C4' energy: -138.225 flat angles P-C4'-P energy: -94.213 tors. eta vs tors. theta energy: -181.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2096.673233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.673233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.673233 (E_RNA) where: Base-Base interactions energy: -1449.619 where: short stacking energy: -587.580 Base-Backbone interact. energy: -1.783 local terms energy: -645.271568 where: bonds (distance) C4'-P energy: -116.142 bonds (distance) P-C4' energy: -115.537 flat angles C4'-P-C4' energy: -133.333 flat angles P-C4'-P energy: -92.902 tors. eta vs tors. theta energy: -187.358 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: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2032.935659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.935659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.935659 (E_RNA) where: Base-Base interactions energy: -1408.980 where: short stacking energy: -569.192 Base-Backbone interact. energy: -4.981 local terms energy: -618.974727 where: bonds (distance) C4'-P energy: -111.607 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -128.626 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -174.138 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: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1714.691021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.691021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.691021 (E_RNA) where: Base-Base interactions energy: -1142.987 where: short stacking energy: -493.039 Base-Backbone interact. energy: 2.977 local terms energy: -574.680626 where: bonds (distance) C4'-P energy: -101.085 bonds (distance) P-C4' energy: -105.302 flat angles C4'-P-C4' energy: -127.402 flat angles P-C4'-P energy: -92.528 tors. eta vs tors. theta energy: -148.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1626.835379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.835379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.835379 (E_RNA) where: Base-Base interactions energy: -1069.949 where: short stacking energy: -474.707 Base-Backbone interact. energy: 1.523 local terms energy: -558.409337 where: bonds (distance) C4'-P energy: -111.391 bonds (distance) P-C4' energy: -117.127 flat angles C4'-P-C4' energy: -122.671 flat angles P-C4'-P energy: -71.586 tors. eta vs tors. theta energy: -135.634 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: 443 Temperature: 1.250000 Total energy: -1572.124935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.124935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.124935 (E_RNA) where: Base-Base interactions energy: -1039.383 where: short stacking energy: -434.298 Base-Backbone interact. energy: -0.621 local terms energy: -532.121373 where: bonds (distance) C4'-P energy: -107.854 bonds (distance) P-C4' energy: -125.870 flat angles C4'-P-C4' energy: -111.485 flat angles P-C4'-P energy: -73.156 tors. eta vs tors. theta energy: -113.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1264.090140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.090140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.090140 (E_RNA) where: Base-Base interactions energy: -799.485 where: short stacking energy: -358.040 Base-Backbone interact. energy: -0.782 local terms energy: -463.823001 where: bonds (distance) C4'-P energy: -83.564 bonds (distance) P-C4' energy: -100.600 flat angles C4'-P-C4' energy: -114.491 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -95.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -880.653989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.653989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.653989 (E_RNA) where: Base-Base interactions energy: -506.521 where: short stacking energy: -254.307 Base-Backbone interact. energy: 3.131 local terms energy: -377.264735 where: bonds (distance) C4'-P energy: -88.139 bonds (distance) P-C4' energy: -107.761 flat angles C4'-P-C4' energy: -93.734 flat angles P-C4'-P energy: -62.248 tors. eta vs tors. theta energy: -25.383 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: 1, replica: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -2348.801435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.801435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.801435 (E_RNA) where: Base-Base interactions energy: -1674.755 where: short stacking energy: -700.882 Base-Backbone interact. energy: 1.433 local terms energy: -675.479767 where: bonds (distance) C4'-P energy: -120.261 bonds (distance) P-C4' energy: -107.028 flat angles C4'-P-C4' energy: -137.869 flat angles P-C4'-P energy: -96.817 tors. eta vs tors. theta energy: -213.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2241.240753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.240753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.240753 (E_RNA) where: Base-Base interactions energy: -1559.781 where: short stacking energy: -651.540 Base-Backbone interact. energy: -0.212 local terms energy: -681.247900 where: bonds (distance) C4'-P energy: -121.145 bonds (distance) P-C4' energy: -125.490 flat angles C4'-P-C4' energy: -146.854 flat angles P-C4'-P energy: -88.172 tors. eta vs tors. theta energy: -199.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2218.007916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.007916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.007916 (E_RNA) where: Base-Base interactions energy: -1572.048 where: short stacking energy: -633.954 Base-Backbone interact. energy: -1.993 local terms energy: -643.966707 where: bonds (distance) C4'-P energy: -119.531 bonds (distance) P-C4' energy: -108.310 flat angles C4'-P-C4' energy: -127.764 flat angles P-C4'-P energy: -92.487 tors. eta vs tors. theta energy: -195.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2089.920685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.920685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.920685 (E_RNA) where: Base-Base interactions energy: -1468.901 where: short stacking energy: -603.484 Base-Backbone interact. energy: 1.417 local terms energy: -622.436285 where: bonds (distance) C4'-P energy: -115.208 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -136.603 flat angles P-C4'-P energy: -82.540 tors. eta vs tors. theta energy: -176.763 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: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1989.015173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.015173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.015173 (E_RNA) where: Base-Base interactions energy: -1385.802 where: short stacking energy: -554.095 Base-Backbone interact. energy: -3.220 local terms energy: -599.993414 where: bonds (distance) C4'-P energy: -105.483 bonds (distance) P-C4' energy: -109.895 flat angles C4'-P-C4' energy: -136.610 flat angles P-C4'-P energy: -86.158 tors. eta vs tors. theta energy: -161.847 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: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1730.110736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.110736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.110736 (E_RNA) where: Base-Base interactions energy: -1187.829 where: short stacking energy: -504.614 Base-Backbone interact. energy: 2.544 local terms energy: -544.825276 where: bonds (distance) C4'-P energy: -106.280 bonds (distance) P-C4' energy: -109.936 flat angles C4'-P-C4' energy: -110.563 flat angles P-C4'-P energy: -74.982 tors. eta vs tors. theta energy: -143.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1570.046390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.046390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.046390 (E_RNA) where: Base-Base interactions energy: -1038.941 where: short stacking energy: -434.643 Base-Backbone interact. energy: -2.492 local terms energy: -528.612802 where: bonds (distance) C4'-P energy: -107.752 bonds (distance) P-C4' energy: -120.763 flat angles C4'-P-C4' energy: -110.638 flat angles P-C4'-P energy: -79.613 tors. eta vs tors. theta energy: -109.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1545.792761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.792761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.792761 (E_RNA) where: Base-Base interactions energy: -1024.988 where: short stacking energy: -403.061 Base-Backbone interact. energy: 0.395 local terms energy: -521.199120 where: bonds (distance) C4'-P energy: -89.103 bonds (distance) P-C4' energy: -123.896 flat angles C4'-P-C4' energy: -102.322 flat angles P-C4'-P energy: -75.335 tors. eta vs tors. theta energy: -130.544 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: 7 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1235.727347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.727347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.727347 (E_RNA) where: Base-Base interactions energy: -802.454 where: short stacking energy: -363.068 Base-Backbone interact. energy: -0.748 local terms energy: -432.525025 where: bonds (distance) C4'-P energy: -77.592 bonds (distance) P-C4' energy: -105.089 flat angles C4'-P-C4' energy: -97.478 flat angles P-C4'-P energy: -70.692 tors. eta vs tors. theta energy: -81.673 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: 10, replica: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -841.252305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.252305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.252305 (E_RNA) where: Base-Base interactions energy: -463.546 where: short stacking energy: -214.209 Base-Backbone interact. energy: 0.438 local terms energy: -378.144426 where: bonds (distance) C4'-P energy: -92.802 bonds (distance) P-C4' energy: -121.259 flat angles C4'-P-C4' energy: -103.814 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -2362.130521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.130521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.130521 (E_RNA) where: Base-Base interactions energy: -1655.691 where: short stacking energy: -684.021 Base-Backbone interact. energy: -1.509 local terms energy: -704.930558 where: bonds (distance) C4'-P energy: -118.121 bonds (distance) P-C4' energy: -125.536 flat angles C4'-P-C4' energy: -142.762 flat angles P-C4'-P energy: -109.546 tors. eta vs tors. theta energy: -208.965 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: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2245.941277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.941277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.941277 (E_RNA) where: Base-Base interactions energy: -1576.838 where: short stacking energy: -620.920 Base-Backbone interact. energy: -2.758 local terms energy: -666.345653 where: bonds (distance) C4'-P energy: -122.134 bonds (distance) P-C4' energy: -134.887 flat angles C4'-P-C4' energy: -135.143 flat angles P-C4'-P energy: -87.353 tors. eta vs tors. theta energy: -186.829 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: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2177.362410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.362410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.362410 (E_RNA) where: Base-Base interactions energy: -1521.275 where: short stacking energy: -626.858 Base-Backbone interact. energy: -1.879 local terms energy: -654.208594 where: bonds (distance) C4'-P energy: -113.257 bonds (distance) P-C4' energy: -109.768 flat angles C4'-P-C4' energy: -137.127 flat angles P-C4'-P energy: -104.532 tors. eta vs tors. theta energy: -189.525 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: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2090.723980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.723980 (E_RNA) where: Base-Base interactions energy: -1460.355 where: short stacking energy: -573.097 Base-Backbone interact. energy: 2.512 local terms energy: -632.881452 where: bonds (distance) C4'-P energy: -100.715 bonds (distance) P-C4' energy: -133.281 flat angles C4'-P-C4' energy: -137.311 flat angles P-C4'-P energy: -84.526 tors. eta vs tors. theta energy: -177.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2008.618347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.618347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.618347 (E_RNA) where: Base-Base interactions energy: -1402.481 where: short stacking energy: -573.362 Base-Backbone interact. energy: -3.629 local terms energy: -602.508289 where: bonds (distance) C4'-P energy: -97.626 bonds (distance) P-C4' energy: -113.522 flat angles C4'-P-C4' energy: -130.685 flat angles P-C4'-P energy: -91.404 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1719.575922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.575922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.575922 (E_RNA) where: Base-Base interactions energy: -1183.003 where: short stacking energy: -492.572 Base-Backbone interact. energy: 1.309 local terms energy: -537.881528 where: bonds (distance) C4'-P energy: -114.964 bonds (distance) P-C4' energy: -96.774 flat angles C4'-P-C4' energy: -125.571 flat angles P-C4'-P energy: -59.437 tors. eta vs tors. theta energy: -141.135 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: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1566.225622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.225622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.225622 (E_RNA) where: Base-Base interactions energy: -1063.430 where: short stacking energy: -435.227 Base-Backbone interact. energy: 4.961 local terms energy: -507.757073 where: bonds (distance) C4'-P energy: -102.992 bonds (distance) P-C4' energy: -104.338 flat angles C4'-P-C4' energy: -102.659 flat angles P-C4'-P energy: -83.487 tors. eta vs tors. theta energy: -114.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1544.122444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.122444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.122444 (E_RNA) where: Base-Base interactions energy: -1025.865 where: short stacking energy: -454.214 Base-Backbone interact. energy: 0.987 local terms energy: -519.244559 where: bonds (distance) C4'-P energy: -112.156 bonds (distance) P-C4' energy: -105.678 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -77.349 tors. eta vs tors. theta energy: -122.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1275.124576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.124576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.124576 (E_RNA) where: Base-Base interactions energy: -843.940 where: short stacking energy: -365.758 Base-Backbone interact. energy: 7.507 local terms energy: -438.691836 where: bonds (distance) C4'-P energy: -82.561 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -103.351 flat angles P-C4'-P energy: -79.280 tors. eta vs tors. theta energy: -77.783 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: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -914.579977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.579977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.579977 (E_RNA) where: Base-Base interactions energy: -522.198 where: short stacking energy: -281.259 Base-Backbone interact. energy: 3.197 local terms energy: -395.579270 where: bonds (distance) C4'-P energy: -115.801 bonds (distance) P-C4' energy: -99.684 flat angles C4'-P-C4' energy: -82.232 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: -41.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -2379.595810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.595810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.595810 (E_RNA) where: Base-Base interactions energy: -1647.532 where: short stacking energy: -682.270 Base-Backbone interact. energy: -3.877 local terms energy: -728.186844 where: bonds (distance) C4'-P energy: -126.324 bonds (distance) P-C4' energy: -139.681 flat angles C4'-P-C4' energy: -147.357 flat angles P-C4'-P energy: -104.094 tors. eta vs tors. theta energy: -210.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2249.635469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.635469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.635469 (E_RNA) where: Base-Base interactions energy: -1567.152 where: short stacking energy: -641.960 Base-Backbone interact. energy: -1.617 local terms energy: -680.866091 where: bonds (distance) C4'-P energy: -114.019 bonds (distance) P-C4' energy: -127.341 flat angles C4'-P-C4' energy: -147.071 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -196.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2197.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.999351 (E_RNA) where: Base-Base interactions energy: -1547.603 where: short stacking energy: -641.823 Base-Backbone interact. energy: -1.502 local terms energy: -648.893635 where: bonds (distance) C4'-P energy: -104.226 bonds (distance) P-C4' energy: -118.950 flat angles C4'-P-C4' energy: -145.563 flat angles P-C4'-P energy: -95.967 tors. eta vs tors. theta energy: -184.188 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: 446 Temperature: 1.050000 Total energy: -2083.582453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.582453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.582453 (E_RNA) where: Base-Base interactions energy: -1456.328 where: short stacking energy: -595.621 Base-Backbone interact. energy: 2.158 local terms energy: -629.412296 where: bonds (distance) C4'-P energy: -106.488 bonds (distance) P-C4' energy: -100.028 flat angles C4'-P-C4' energy: -144.396 flat angles P-C4'-P energy: -92.811 tors. eta vs tors. theta energy: -185.689 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: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2020.550773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.550773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.550773 (E_RNA) where: Base-Base interactions energy: -1407.781 where: short stacking energy: -581.071 Base-Backbone interact. energy: -3.642 local terms energy: -609.127367 where: bonds (distance) C4'-P energy: -106.665 bonds (distance) P-C4' energy: -123.206 flat angles C4'-P-C4' energy: -126.562 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: -172.472 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: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1743.575435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.575435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.575435 (E_RNA) where: Base-Base interactions energy: -1185.765 where: short stacking energy: -501.266 Base-Backbone interact. energy: -2.631 local terms energy: -555.179900 where: bonds (distance) C4'-P energy: -104.310 bonds (distance) P-C4' energy: -109.755 flat angles C4'-P-C4' energy: -125.466 flat angles P-C4'-P energy: -83.505 tors. eta vs tors. theta energy: -132.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1605.304206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.304206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.304206 (E_RNA) where: Base-Base interactions energy: -1075.409 where: short stacking energy: -449.976 Base-Backbone interact. energy: 0.954 local terms energy: -530.849504 where: bonds (distance) C4'-P energy: -110.176 bonds (distance) P-C4' energy: -110.508 flat angles C4'-P-C4' energy: -105.070 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -125.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1572.200418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.200418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.200418 (E_RNA) where: Base-Base interactions energy: -1086.311 where: short stacking energy: -460.321 Base-Backbone interact. energy: 0.648 local terms energy: -486.537146 where: bonds (distance) C4'-P energy: -103.533 bonds (distance) P-C4' energy: -88.778 flat angles C4'-P-C4' energy: -105.059 flat angles P-C4'-P energy: -73.496 tors. eta vs tors. theta energy: -115.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1263.199374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.199374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.199374 (E_RNA) where: Base-Base interactions energy: -824.554 where: short stacking energy: -365.045 Base-Backbone interact. energy: 2.107 local terms energy: -440.752172 where: bonds (distance) C4'-P energy: -115.737 bonds (distance) P-C4' energy: -98.515 flat angles C4'-P-C4' energy: -94.551 flat angles P-C4'-P energy: -55.247 tors. eta vs tors. theta energy: -76.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -887.801713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.801713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.801713 (E_RNA) where: Base-Base interactions energy: -521.446 where: short stacking energy: -251.892 Base-Backbone interact. energy: 3.050 local terms energy: -369.405463 where: bonds (distance) C4'-P energy: -94.489 bonds (distance) P-C4' energy: -97.345 flat angles C4'-P-C4' energy: -78.574 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -43.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -2352.737475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.737475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.737475 (E_RNA) where: Base-Base interactions energy: -1642.957 where: short stacking energy: -672.839 Base-Backbone interact. energy: -1.549 local terms energy: -708.232203 where: bonds (distance) C4'-P energy: -128.222 bonds (distance) P-C4' energy: -110.351 flat angles C4'-P-C4' energy: -153.399 flat angles P-C4'-P energy: -106.032 tors. eta vs tors. theta energy: -210.229 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: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2253.570767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.570767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.570767 (E_RNA) where: Base-Base interactions energy: -1585.160 where: short stacking energy: -646.079 Base-Backbone interact. energy: -2.665 local terms energy: -665.745024 where: bonds (distance) C4'-P energy: -109.281 bonds (distance) P-C4' energy: -114.576 flat angles C4'-P-C4' energy: -140.807 flat angles P-C4'-P energy: -96.357 tors. eta vs tors. theta energy: -204.724 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: 447 Temperature: 1.000000 Total energy: -2193.286386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.286386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.286386 (E_RNA) where: Base-Base interactions energy: -1536.894 where: short stacking energy: -624.377 Base-Backbone interact. energy: 0.861 local terms energy: -657.252941 where: bonds (distance) C4'-P energy: -123.761 bonds (distance) P-C4' energy: -114.426 flat angles C4'-P-C4' energy: -143.497 flat angles P-C4'-P energy: -91.587 tors. eta vs tors. theta energy: -183.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2115.490484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.490484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.490484 (E_RNA) where: Base-Base interactions energy: -1463.939 where: short stacking energy: -610.715 Base-Backbone interact. energy: -1.153 local terms energy: -650.398397 where: bonds (distance) C4'-P energy: -113.931 bonds (distance) P-C4' energy: -117.617 flat angles C4'-P-C4' energy: -130.695 flat angles P-C4'-P energy: -92.874 tors. eta vs tors. theta energy: -195.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2028.721666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.721666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.721666 (E_RNA) where: Base-Base interactions energy: -1407.256 where: short stacking energy: -578.082 Base-Backbone interact. energy: -3.161 local terms energy: -618.304935 where: bonds (distance) C4'-P energy: -100.923 bonds (distance) P-C4' energy: -110.701 flat angles C4'-P-C4' energy: -137.410 flat angles P-C4'-P energy: -80.784 tors. eta vs tors. theta energy: -188.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1736.401009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.401009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.401009 (E_RNA) where: Base-Base interactions energy: -1172.849 where: short stacking energy: -494.554 Base-Backbone interact. energy: 2.687 local terms energy: -566.239155 where: bonds (distance) C4'-P energy: -101.325 bonds (distance) P-C4' energy: -118.672 flat angles C4'-P-C4' energy: -117.571 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -132.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1625.661440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.661440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.661440 (E_RNA) where: Base-Base interactions energy: -1092.714 where: short stacking energy: -478.441 Base-Backbone interact. energy: 0.240 local terms energy: -533.187316 where: bonds (distance) C4'-P energy: -106.492 bonds (distance) P-C4' energy: -106.223 flat angles C4'-P-C4' energy: -116.377 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -129.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1526.129844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.129844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.129844 (E_RNA) where: Base-Base interactions energy: -1031.994 where: short stacking energy: -423.804 Base-Backbone interact. energy: -1.402 local terms energy: -492.733833 where: bonds (distance) C4'-P energy: -96.341 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -119.830 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -107.606 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: 7 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1200.771323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.771323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.771323 (E_RNA) where: Base-Base interactions energy: -781.615 where: short stacking energy: -347.044 Base-Backbone interact. energy: -0.765 local terms energy: -418.391280 where: bonds (distance) C4'-P energy: -87.318 bonds (distance) P-C4' energy: -77.992 flat angles C4'-P-C4' energy: -110.795 flat angles P-C4'-P energy: -68.696 tors. eta vs tors. theta energy: -73.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -961.242821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.242821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.242821 (E_RNA) where: Base-Base interactions energy: -564.861 where: short stacking energy: -270.316 Base-Backbone interact. energy: 1.171 local terms energy: -397.552423 where: bonds (distance) C4'-P energy: -96.997 bonds (distance) P-C4' energy: -106.440 flat angles C4'-P-C4' energy: -99.942 flat angles P-C4'-P energy: -57.423 tors. eta vs tors. theta energy: -36.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -2351.876327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.876327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.876327 (E_RNA) where: Base-Base interactions energy: -1663.304 where: short stacking energy: -686.108 Base-Backbone interact. energy: -2.055 local terms energy: -686.517373 where: bonds (distance) C4'-P energy: -115.355 bonds (distance) P-C4' energy: -115.326 flat angles C4'-P-C4' energy: -142.979 flat angles P-C4'-P energy: -101.837 tors. eta vs tors. theta energy: -211.021 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: 9 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2248.582885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.582885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.582885 (E_RNA) where: Base-Base interactions energy: -1560.812 where: short stacking energy: -641.006 Base-Backbone interact. energy: -4.059 local terms energy: -683.711766 where: bonds (distance) C4'-P energy: -118.829 bonds (distance) P-C4' energy: -127.395 flat angles C4'-P-C4' energy: -143.957 flat angles P-C4'-P energy: -94.060 tors. eta vs tors. theta energy: -199.472 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: 6 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2186.795082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.795082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.795082 (E_RNA) where: Base-Base interactions energy: -1536.099 where: short stacking energy: -631.164 Base-Backbone interact. energy: 0.806 local terms energy: -651.502089 where: bonds (distance) C4'-P energy: -117.055 bonds (distance) P-C4' energy: -113.595 flat angles C4'-P-C4' energy: -133.492 flat angles P-C4'-P energy: -92.137 tors. eta vs tors. theta energy: -195.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2121.131682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.131682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.131682 (E_RNA) where: Base-Base interactions energy: -1496.505 where: short stacking energy: -612.267 Base-Backbone interact. energy: -1.852 local terms energy: -622.774928 where: bonds (distance) C4'-P energy: -98.144 bonds (distance) P-C4' energy: -102.861 flat angles C4'-P-C4' energy: -133.789 flat angles P-C4'-P energy: -93.079 tors. eta vs tors. theta energy: -194.902 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: 5, replica: 10 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2013.029451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.029451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.029451 (E_RNA) where: Base-Base interactions energy: -1423.639 where: short stacking energy: -607.441 Base-Backbone interact. energy: -3.494 local terms energy: -585.896390 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -99.051 flat angles C4'-P-C4' energy: -136.888 flat angles P-C4'-P energy: -71.444 tors. eta vs tors. theta energy: -183.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1751.175782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.175782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.175782 (E_RNA) where: Base-Base interactions energy: -1188.755 where: short stacking energy: -519.002 Base-Backbone interact. energy: -2.496 local terms energy: -559.925314 where: bonds (distance) C4'-P energy: -123.339 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -121.826 flat angles P-C4'-P energy: -75.761 tors. eta vs tors. theta energy: -135.424 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: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1596.617319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.617319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.617319 (E_RNA) where: Base-Base interactions energy: -1065.606 where: short stacking energy: -474.111 Base-Backbone interact. energy: -0.637 local terms energy: -530.373736 where: bonds (distance) C4'-P energy: -97.919 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -114.592 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -143.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1544.533307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.533307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.533307 (E_RNA) where: Base-Base interactions energy: -1066.145 where: short stacking energy: -440.380 Base-Backbone interact. energy: -3.899 local terms energy: -474.489542 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -105.851 flat angles C4'-P-C4' energy: -101.004 flat angles P-C4'-P energy: -70.041 tors. eta vs tors. theta energy: -100.646 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: 7 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1219.492263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.492263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.492263 (E_RNA) where: Base-Base interactions energy: -763.708 where: short stacking energy: -335.446 Base-Backbone interact. energy: -2.693 local terms energy: -453.090660 where: bonds (distance) C4'-P energy: -95.845 bonds (distance) P-C4' energy: -98.704 flat angles C4'-P-C4' energy: -107.794 flat angles P-C4'-P energy: -75.630 tors. eta vs tors. theta energy: -75.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -978.357233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.357233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.357233 (E_RNA) where: Base-Base interactions energy: -587.582 where: short stacking energy: -260.816 Base-Backbone interact. energy: -2.390 local terms energy: -388.384995 where: bonds (distance) C4'-P energy: -95.699 bonds (distance) P-C4' energy: -101.123 flat angles C4'-P-C4' energy: -100.509 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: -31.426 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: 8 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -2354.167590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.167590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.167590 (E_RNA) where: Base-Base interactions energy: -1643.068 where: short stacking energy: -678.672 Base-Backbone interact. energy: -2.612 local terms energy: -708.487522 where: bonds (distance) C4'-P energy: -118.986 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -144.391 flat angles P-C4'-P energy: -108.988 tors. eta vs tors. theta energy: -207.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2249.541520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.541520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.541520 (E_RNA) where: Base-Base interactions energy: -1593.163 where: short stacking energy: -637.503 Base-Backbone interact. energy: -0.286 local terms energy: -656.092253 where: bonds (distance) C4'-P energy: -111.676 bonds (distance) P-C4' energy: -114.750 flat angles C4'-P-C4' energy: -136.985 flat angles P-C4'-P energy: -85.642 tors. eta vs tors. theta energy: -207.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2195.879345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.879345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.879345 (E_RNA) where: Base-Base interactions energy: -1549.469 where: short stacking energy: -618.658 Base-Backbone interact. energy: 0.297 local terms energy: -646.707114 where: bonds (distance) C4'-P energy: -117.261 bonds (distance) P-C4' energy: -103.015 flat angles C4'-P-C4' energy: -138.882 flat angles P-C4'-P energy: -90.021 tors. eta vs tors. theta energy: -197.528 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: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2132.460880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.460880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.460880 (E_RNA) where: Base-Base interactions energy: -1481.228 where: short stacking energy: -635.885 Base-Backbone interact. energy: -1.028 local terms energy: -650.205118 where: bonds (distance) C4'-P energy: -119.782 bonds (distance) P-C4' energy: -116.868 flat angles C4'-P-C4' energy: -138.479 flat angles P-C4'-P energy: -82.736 tors. eta vs tors. theta energy: -192.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2037.495569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.495569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.495569 (E_RNA) where: Base-Base interactions energy: -1417.185 where: short stacking energy: -593.092 Base-Backbone interact. energy: 3.574 local terms energy: -623.884551 where: bonds (distance) C4'-P energy: -113.299 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -129.236 flat angles P-C4'-P energy: -89.843 tors. eta vs tors. theta energy: -176.410 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: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1735.459263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.459263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.459263 (E_RNA) where: Base-Base interactions energy: -1166.235 where: short stacking energy: -490.082 Base-Backbone interact. energy: 0.087 local terms energy: -569.311371 where: bonds (distance) C4'-P energy: -106.571 bonds (distance) P-C4' energy: -119.448 flat angles C4'-P-C4' energy: -116.718 flat angles P-C4'-P energy: -86.534 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: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1560.240510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.240510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.240510 (E_RNA) where: Base-Base interactions energy: -1049.517 where: short stacking energy: -447.691 Base-Backbone interact. energy: -1.588 local terms energy: -509.134920 where: bonds (distance) C4'-P energy: -86.247 bonds (distance) P-C4' energy: -94.773 flat angles C4'-P-C4' energy: -131.238 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -122.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1508.729399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.729399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.729399 (E_RNA) where: Base-Base interactions energy: -1024.369 where: short stacking energy: -398.096 Base-Backbone interact. energy: 0.982 local terms energy: -485.342698 where: bonds (distance) C4'-P energy: -98.255 bonds (distance) P-C4' energy: -112.214 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -99.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1202.004846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.004846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.004846 (E_RNA) where: Base-Base interactions energy: -794.371 where: short stacking energy: -345.566 Base-Backbone interact. energy: -0.406 local terms energy: -407.227447 where: bonds (distance) C4'-P energy: -78.457 bonds (distance) P-C4' energy: -90.451 flat angles C4'-P-C4' energy: -97.225 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: -71.356 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: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -892.475923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.475923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.475923 (E_RNA) where: Base-Base interactions energy: -523.696 where: short stacking energy: -252.479 Base-Backbone interact. energy: 3.928 local terms energy: -372.708309 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -101.656 flat angles C4'-P-C4' energy: -86.919 flat angles P-C4'-P energy: -60.792 tors. eta vs tors. theta energy: -29.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -2376.837550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.837550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.837550 (E_RNA) where: Base-Base interactions energy: -1650.607 where: short stacking energy: -681.671 Base-Backbone interact. energy: -0.662 local terms energy: -725.568896 where: bonds (distance) C4'-P energy: -131.930 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -148.594 flat angles P-C4'-P energy: -106.335 tors. eta vs tors. theta energy: -211.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2241.873841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.873841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.873841 (E_RNA) where: Base-Base interactions energy: -1579.931 where: short stacking energy: -640.104 Base-Backbone interact. energy: -3.032 local terms energy: -658.911279 where: bonds (distance) C4'-P energy: -121.216 bonds (distance) P-C4' energy: -123.126 flat angles C4'-P-C4' energy: -138.973 flat angles P-C4'-P energy: -91.696 tors. eta vs tors. theta energy: -183.902 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: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2202.947505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.947505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.947505 (E_RNA) where: Base-Base interactions energy: -1557.932 where: short stacking energy: -630.617 Base-Backbone interact. energy: -2.369 local terms energy: -642.645969 where: bonds (distance) C4'-P energy: -112.809 bonds (distance) P-C4' energy: -114.042 flat angles C4'-P-C4' energy: -135.535 flat angles P-C4'-P energy: -93.677 tors. eta vs tors. theta energy: -186.582 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: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2108.796203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.796203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.796203 (E_RNA) where: Base-Base interactions energy: -1474.521 where: short stacking energy: -584.284 Base-Backbone interact. energy: -2.697 local terms energy: -631.578808 where: bonds (distance) C4'-P energy: -105.920 bonds (distance) P-C4' energy: -121.022 flat angles C4'-P-C4' energy: -126.576 flat angles P-C4'-P energy: -96.320 tors. eta vs tors. theta energy: -181.741 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: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2032.904741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.904741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.904741 (E_RNA) where: Base-Base interactions energy: -1439.235 where: short stacking energy: -572.422 Base-Backbone interact. energy: 1.125 local terms energy: -594.794781 where: bonds (distance) C4'-P energy: -98.767 bonds (distance) P-C4' energy: -119.034 flat angles C4'-P-C4' energy: -128.158 flat angles P-C4'-P energy: -82.223 tors. eta vs tors. theta energy: -166.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1764.685851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.685851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.685851 (E_RNA) where: Base-Base interactions energy: -1200.772 where: short stacking energy: -491.982 Base-Backbone interact. energy: -0.136 local terms energy: -563.777988 where: bonds (distance) C4'-P energy: -107.584 bonds (distance) P-C4' energy: -124.158 flat angles C4'-P-C4' energy: -118.555 flat angles P-C4'-P energy: -86.241 tors. eta vs tors. theta energy: -127.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1648.127733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.127733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.127733 (E_RNA) where: Base-Base interactions energy: -1129.260 where: short stacking energy: -491.499 Base-Backbone interact. energy: 1.664 local terms energy: -520.532239 where: bonds (distance) C4'-P energy: -93.122 bonds (distance) P-C4' energy: -91.387 flat angles C4'-P-C4' energy: -115.256 flat angles P-C4'-P energy: -82.770 tors. eta vs tors. theta energy: -137.997 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: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1529.015509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.015509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.015509 (E_RNA) where: Base-Base interactions energy: -1015.182 where: short stacking energy: -432.460 Base-Backbone interact. energy: -0.863 local terms energy: -512.970512 where: bonds (distance) C4'-P energy: -106.746 bonds (distance) P-C4' energy: -89.065 flat angles C4'-P-C4' energy: -118.669 flat angles P-C4'-P energy: -78.032 tors. eta vs tors. theta energy: -120.459 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: 9, replica: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1249.057717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.057717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.057717 (E_RNA) where: Base-Base interactions energy: -828.809 where: short stacking energy: -359.682 Base-Backbone interact. energy: -2.600 local terms energy: -417.648155 where: bonds (distance) C4'-P energy: -93.015 bonds (distance) P-C4' energy: -93.131 flat angles C4'-P-C4' energy: -108.442 flat angles P-C4'-P energy: -35.671 tors. eta vs tors. theta energy: -87.390 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: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -904.030835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.030835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.030835 (E_RNA) where: Base-Base interactions energy: -525.993 where: short stacking energy: -246.318 Base-Backbone interact. energy: 0.849 local terms energy: -378.886081 where: bonds (distance) C4'-P energy: -101.833 bonds (distance) P-C4' energy: -106.628 flat angles C4'-P-C4' energy: -84.919 flat angles P-C4'-P energy: -69.206 tors. eta vs tors. theta energy: -16.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -2354.609617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.609617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.609617 (E_RNA) where: Base-Base interactions energy: -1640.647 where: short stacking energy: -658.857 Base-Backbone interact. energy: -4.927 local terms energy: -709.035769 where: bonds (distance) C4'-P energy: -122.861 bonds (distance) P-C4' energy: -143.534 flat angles C4'-P-C4' energy: -144.915 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -211.554 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2246.194453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.194453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.194453 (E_RNA) where: Base-Base interactions energy: -1585.412 where: short stacking energy: -647.674 Base-Backbone interact. energy: -1.557 local terms energy: -659.224982 where: bonds (distance) C4'-P energy: -117.052 bonds (distance) P-C4' energy: -109.022 flat angles C4'-P-C4' energy: -138.481 flat angles P-C4'-P energy: -100.725 tors. eta vs tors. theta energy: -193.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2193.256572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.256572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.256572 (E_RNA) where: Base-Base interactions energy: -1546.876 where: short stacking energy: -637.728 Base-Backbone interact. energy: 0.747 local terms energy: -647.127640 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -101.864 flat angles C4'-P-C4' energy: -142.028 flat angles P-C4'-P energy: -97.059 tors. eta vs tors. theta energy: -193.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2128.748726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.748726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.748726 (E_RNA) where: Base-Base interactions energy: -1498.241 where: short stacking energy: -598.118 Base-Backbone interact. energy: -2.040 local terms energy: -628.468012 where: bonds (distance) C4'-P energy: -115.023 bonds (distance) P-C4' energy: -104.333 flat angles C4'-P-C4' energy: -134.699 flat angles P-C4'-P energy: -97.406 tors. eta vs tors. theta energy: -177.008 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: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2035.324636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.324636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.324636 (E_RNA) where: Base-Base interactions energy: -1416.568 where: short stacking energy: -572.099 Base-Backbone interact. energy: -1.244 local terms energy: -617.513168 where: bonds (distance) C4'-P energy: -106.058 bonds (distance) P-C4' energy: -116.044 flat angles C4'-P-C4' energy: -131.422 flat angles P-C4'-P energy: -85.861 tors. eta vs tors. theta energy: -178.128 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: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1764.605040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.605040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.605040 (E_RNA) where: Base-Base interactions energy: -1202.560 where: short stacking energy: -513.800 Base-Backbone interact. energy: -0.497 local terms energy: -561.547514 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -95.818 flat angles C4'-P-C4' energy: -119.452 flat angles P-C4'-P energy: -87.277 tors. eta vs tors. theta energy: -154.984 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: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1604.775686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.775686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.775686 (E_RNA) where: Base-Base interactions energy: -1091.606 where: short stacking energy: -424.367 Base-Backbone interact. energy: 3.310 local terms energy: -516.479552 where: bonds (distance) C4'-P energy: -94.909 bonds (distance) P-C4' energy: -119.372 flat angles C4'-P-C4' energy: -109.622 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -112.917 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: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1589.603996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.603996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.603996 (E_RNA) where: Base-Base interactions energy: -1079.864 where: short stacking energy: -467.910 Base-Backbone interact. energy: 1.172 local terms energy: -510.912086 where: bonds (distance) C4'-P energy: -96.268 bonds (distance) P-C4' energy: -86.676 flat angles C4'-P-C4' energy: -109.365 flat angles P-C4'-P energy: -87.776 tors. eta vs tors. theta energy: -130.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1229.257060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.257060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.257060 (E_RNA) where: Base-Base interactions energy: -787.651 where: short stacking energy: -323.530 Base-Backbone interact. energy: -1.342 local terms energy: -440.263553 where: bonds (distance) C4'-P energy: -111.392 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -108.726 flat angles P-C4'-P energy: -76.637 tors. eta vs tors. theta energy: -53.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -894.677955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.677955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.677955 (E_RNA) where: Base-Base interactions energy: -509.589 where: short stacking energy: -224.368 Base-Backbone interact. energy: 1.542 local terms energy: -386.630822 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -124.996 flat angles C4'-P-C4' energy: -94.974 flat angles P-C4'-P energy: -58.437 tors. eta vs tors. theta energy: -17.568 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: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -2367.959858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.959858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.959858 (E_RNA) where: Base-Base interactions energy: -1659.893 where: short stacking energy: -667.846 Base-Backbone interact. energy: -2.171 local terms energy: -705.895544 where: bonds (distance) C4'-P energy: -125.425 bonds (distance) P-C4' energy: -122.880 flat angles C4'-P-C4' energy: -150.161 flat angles P-C4'-P energy: -90.558 tors. eta vs tors. theta energy: -216.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2296.027590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.027590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.027590 (E_RNA) where: Base-Base interactions energy: -1606.841 where: short stacking energy: -685.897 Base-Backbone interact. energy: -1.313 local terms energy: -687.873634 where: bonds (distance) C4'-P energy: -120.741 bonds (distance) P-C4' energy: -117.131 flat angles C4'-P-C4' energy: -143.664 flat angles P-C4'-P energy: -103.369 tors. eta vs tors. theta energy: -202.968 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: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2186.396131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.396131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.396131 (E_RNA) where: Base-Base interactions energy: -1525.669 where: short stacking energy: -615.511 Base-Backbone interact. energy: -2.227 local terms energy: -658.499876 where: bonds (distance) C4'-P energy: -113.432 bonds (distance) P-C4' energy: -121.263 flat angles C4'-P-C4' energy: -142.914 flat angles P-C4'-P energy: -92.977 tors. eta vs tors. theta energy: -187.913 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: 452 Temperature: 1.050000 Total energy: -2127.875908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.875908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.875908 (E_RNA) where: Base-Base interactions energy: -1480.615 where: short stacking energy: -598.853 Base-Backbone interact. energy: -1.401 local terms energy: -645.860129 where: bonds (distance) C4'-P energy: -123.523 bonds (distance) P-C4' energy: -113.108 flat angles C4'-P-C4' energy: -127.771 flat angles P-C4'-P energy: -85.005 tors. eta vs tors. theta energy: -196.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2025.900674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.900674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.900674 (E_RNA) where: Base-Base interactions energy: -1419.008 where: short stacking energy: -589.869 Base-Backbone interact. energy: -2.767 local terms energy: -604.126046 where: bonds (distance) C4'-P energy: -93.505 bonds (distance) P-C4' energy: -112.980 flat angles C4'-P-C4' energy: -134.687 flat angles P-C4'-P energy: -77.405 tors. eta vs tors. theta energy: -185.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1784.711756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.711756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.711756 (E_RNA) where: Base-Base interactions energy: -1227.076 where: short stacking energy: -502.952 Base-Backbone interact. energy: -1.945 local terms energy: -555.690133 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -104.070 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -81.702 tors. eta vs tors. theta energy: -143.621 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: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1614.740627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.740627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.740627 (E_RNA) where: Base-Base interactions energy: -1088.094 where: short stacking energy: -475.656 Base-Backbone interact. energy: -0.912 local terms energy: -525.733746 where: bonds (distance) C4'-P energy: -92.605 bonds (distance) P-C4' energy: -113.467 flat angles C4'-P-C4' energy: -117.462 flat angles P-C4'-P energy: -70.103 tors. eta vs tors. theta energy: -132.096 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: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1513.932229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.932229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.932229 (E_RNA) where: Base-Base interactions energy: -1003.637 where: short stacking energy: -408.661 Base-Backbone interact. energy: 1.882 local terms energy: -512.177654 where: bonds (distance) C4'-P energy: -108.019 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -115.188 flat angles P-C4'-P energy: -65.930 tors. eta vs tors. theta energy: -108.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1200.419985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.419985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.419985 (E_RNA) where: Base-Base interactions energy: -779.222 where: short stacking energy: -337.240 Base-Backbone interact. energy: 0.918 local terms energy: -422.115828 where: bonds (distance) C4'-P energy: -84.021 bonds (distance) P-C4' energy: -106.782 flat angles C4'-P-C4' energy: -109.546 flat angles P-C4'-P energy: -55.392 tors. eta vs tors. theta energy: -66.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -919.400992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.400992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.400992 (E_RNA) where: Base-Base interactions energy: -522.746 where: short stacking energy: -251.134 Base-Backbone interact. energy: -0.391 local terms energy: -396.263594 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -91.447 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -58.313 tors. eta vs tors. theta energy: -41.558 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: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -2384.628482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.628482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.628482 (E_RNA) where: Base-Base interactions energy: -1668.072 where: short stacking energy: -688.576 Base-Backbone interact. energy: -2.203 local terms energy: -714.353303 where: bonds (distance) C4'-P energy: -124.441 bonds (distance) P-C4' energy: -121.044 flat angles C4'-P-C4' energy: -151.630 flat angles P-C4'-P energy: -99.091 tors. eta vs tors. theta energy: -218.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2277.649827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.649827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.649827 (E_RNA) where: Base-Base interactions energy: -1603.704 where: short stacking energy: -670.404 Base-Backbone interact. energy: -1.915 local terms energy: -672.030450 where: bonds (distance) C4'-P energy: -119.237 bonds (distance) P-C4' energy: -116.144 flat angles C4'-P-C4' energy: -143.626 flat angles P-C4'-P energy: -95.226 tors. eta vs tors. theta energy: -197.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2201.038775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.038775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.038775 (E_RNA) where: Base-Base interactions energy: -1568.275 where: short stacking energy: -646.443 Base-Backbone interact. energy: -1.561 local terms energy: -631.202976 where: bonds (distance) C4'-P energy: -106.551 bonds (distance) P-C4' energy: -111.954 flat angles C4'-P-C4' energy: -137.724 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -195.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2113.166364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.166364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.166364 (E_RNA) where: Base-Base interactions energy: -1483.552 where: short stacking energy: -603.356 Base-Backbone interact. energy: -0.407 local terms energy: -629.207028 where: bonds (distance) C4'-P energy: -116.828 bonds (distance) P-C4' energy: -100.181 flat angles C4'-P-C4' energy: -141.544 flat angles P-C4'-P energy: -81.217 tors. eta vs tors. theta energy: -189.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2035.091705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.091705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.091705 (E_RNA) where: Base-Base interactions energy: -1444.598 where: short stacking energy: -588.711 Base-Backbone interact. energy: 3.159 local terms energy: -593.652612 where: bonds (distance) C4'-P energy: -98.245 bonds (distance) P-C4' energy: -110.165 flat angles C4'-P-C4' energy: -124.234 flat angles P-C4'-P energy: -79.027 tors. eta vs tors. theta energy: -181.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1749.212708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.212708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.212708 (E_RNA) where: Base-Base interactions energy: -1180.262 where: short stacking energy: -491.917 Base-Backbone interact. energy: -3.329 local terms energy: -565.621446 where: bonds (distance) C4'-P energy: -105.631 bonds (distance) P-C4' energy: -103.743 flat angles C4'-P-C4' energy: -124.424 flat angles P-C4'-P energy: -88.632 tors. eta vs tors. theta energy: -143.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1578.161392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.161392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.161392 (E_RNA) where: Base-Base interactions energy: -1071.786 where: short stacking energy: -460.742 Base-Backbone interact. energy: -0.277 local terms energy: -506.098243 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -89.966 flat angles C4'-P-C4' energy: -116.502 flat angles P-C4'-P energy: -82.985 tors. eta vs tors. theta energy: -126.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1498.994225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.994225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.994225 (E_RNA) where: Base-Base interactions energy: -1027.352 where: short stacking energy: -407.533 Base-Backbone interact. energy: -0.762 local terms energy: -470.879805 where: bonds (distance) C4'-P energy: -81.757 bonds (distance) P-C4' energy: -101.581 flat angles C4'-P-C4' energy: -109.577 flat angles P-C4'-P energy: -72.213 tors. eta vs tors. theta energy: -105.751 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: 7 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1205.653650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.653650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.653650 (E_RNA) where: Base-Base interactions energy: -764.380 where: short stacking energy: -322.522 Base-Backbone interact. energy: 0.984 local terms energy: -442.257582 where: bonds (distance) C4'-P energy: -91.991 bonds (distance) P-C4' energy: -118.598 flat angles C4'-P-C4' energy: -98.414 flat angles P-C4'-P energy: -65.069 tors. eta vs tors. theta energy: -68.185 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: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -954.557139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.557139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.557139 (E_RNA) where: Base-Base interactions energy: -586.129 where: short stacking energy: -268.575 Base-Backbone interact. energy: -0.695 local terms energy: -367.732905 where: bonds (distance) C4'-P energy: -104.920 bonds (distance) P-C4' energy: -92.405 flat angles C4'-P-C4' energy: -85.457 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -29.072 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: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -2352.601205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.601205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.601205 (E_RNA) where: Base-Base interactions energy: -1687.207 where: short stacking energy: -658.166 Base-Backbone interact. energy: -2.776 local terms energy: -662.617969 where: bonds (distance) C4'-P energy: -104.279 bonds (distance) P-C4' energy: -119.263 flat angles C4'-P-C4' energy: -134.819 flat angles P-C4'-P energy: -99.279 tors. eta vs tors. theta energy: -204.979 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: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2264.401994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.401994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.401994 (E_RNA) where: Base-Base interactions energy: -1596.354 where: short stacking energy: -635.761 Base-Backbone interact. energy: 0.395 local terms energy: -668.443145 where: bonds (distance) C4'-P energy: -123.314 bonds (distance) P-C4' energy: -117.982 flat angles C4'-P-C4' energy: -139.332 flat angles P-C4'-P energy: -93.858 tors. eta vs tors. theta energy: -193.957 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: 454 Temperature: 1.000000 Total energy: -2162.980572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.980572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.980572 (E_RNA) where: Base-Base interactions energy: -1524.180 where: short stacking energy: -611.541 Base-Backbone interact. energy: -1.974 local terms energy: -636.826759 where: bonds (distance) C4'-P energy: -108.979 bonds (distance) P-C4' energy: -114.723 flat angles C4'-P-C4' energy: -131.587 flat angles P-C4'-P energy: -95.402 tors. eta vs tors. theta energy: -186.136 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: 454 Temperature: 1.050000 Total energy: -2130.213347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.213347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.213347 (E_RNA) where: Base-Base interactions energy: -1500.350 where: short stacking energy: -620.012 Base-Backbone interact. energy: 0.809 local terms energy: -630.673038 where: bonds (distance) C4'-P energy: -108.319 bonds (distance) P-C4' energy: -122.209 flat angles C4'-P-C4' energy: -129.670 flat angles P-C4'-P energy: -81.521 tors. eta vs tors. theta energy: -188.954 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: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2014.989846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.989846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.989846 (E_RNA) where: Base-Base interactions energy: -1425.141 where: short stacking energy: -574.529 Base-Backbone interact. energy: -1.795 local terms energy: -588.053561 where: bonds (distance) C4'-P energy: -103.135 bonds (distance) P-C4' energy: -108.813 flat angles C4'-P-C4' energy: -119.356 flat angles P-C4'-P energy: -85.734 tors. eta vs tors. theta energy: -171.016 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: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1754.223936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.223936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.223936 (E_RNA) where: Base-Base interactions energy: -1197.604 where: short stacking energy: -513.106 Base-Backbone interact. energy: 0.608 local terms energy: -557.227511 where: bonds (distance) C4'-P energy: -91.446 bonds (distance) P-C4' energy: -107.534 flat angles C4'-P-C4' energy: -123.674 flat angles P-C4'-P energy: -80.229 tors. eta vs tors. theta energy: -154.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1598.268550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.268550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.268550 (E_RNA) where: Base-Base interactions energy: -1068.091 where: short stacking energy: -447.350 Base-Backbone interact. energy: -1.806 local terms energy: -528.372181 where: bonds (distance) C4'-P energy: -112.787 bonds (distance) P-C4' energy: -111.163 flat angles C4'-P-C4' energy: -106.509 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -128.562 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1555.654170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.654170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.654170 (E_RNA) where: Base-Base interactions energy: -1068.749 where: short stacking energy: -430.965 Base-Backbone interact. energy: 7.572 local terms energy: -494.476771 where: bonds (distance) C4'-P energy: -106.478 bonds (distance) P-C4' energy: -90.232 flat angles C4'-P-C4' energy: -113.209 flat angles P-C4'-P energy: -75.607 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: 9, replica: 7 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1214.143513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.143513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.143513 (E_RNA) where: Base-Base interactions energy: -779.611 where: short stacking energy: -332.104 Base-Backbone interact. energy: -0.377 local terms energy: -434.155752 where: bonds (distance) C4'-P energy: -87.399 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -107.496 flat angles P-C4'-P energy: -71.418 tors. eta vs tors. theta energy: -68.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -956.901013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.901013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.901013 (E_RNA) where: Base-Base interactions energy: -592.950 where: short stacking energy: -272.013 Base-Backbone interact. energy: 2.976 local terms energy: -366.926606 where: bonds (distance) C4'-P energy: -88.166 bonds (distance) P-C4' energy: -102.469 flat angles C4'-P-C4' energy: -81.354 flat angles P-C4'-P energy: -61.303 tors. eta vs tors. theta energy: -33.634 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: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -2361.563060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.563060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.563060 (E_RNA) where: Base-Base interactions energy: -1668.054 where: short stacking energy: -676.052 Base-Backbone interact. energy: -1.997 local terms energy: -691.512262 where: bonds (distance) C4'-P energy: -114.659 bonds (distance) P-C4' energy: -119.847 flat angles C4'-P-C4' energy: -153.972 flat angles P-C4'-P energy: -96.075 tors. eta vs tors. theta energy: -206.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2275.409901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.409901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.409901 (E_RNA) where: Base-Base interactions energy: -1606.757 where: short stacking energy: -666.053 Base-Backbone interact. energy: -0.256 local terms energy: -668.396946 where: bonds (distance) C4'-P energy: -124.906 bonds (distance) P-C4' energy: -117.297 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -104.787 tors. eta vs tors. theta energy: -192.966 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: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2192.181840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.181840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.181840 (E_RNA) where: Base-Base interactions energy: -1541.278 where: short stacking energy: -614.369 Base-Backbone interact. energy: -2.479 local terms energy: -648.425264 where: bonds (distance) C4'-P energy: -115.519 bonds (distance) P-C4' energy: -120.788 flat angles C4'-P-C4' energy: -144.243 flat angles P-C4'-P energy: -88.465 tors. eta vs tors. theta energy: -179.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2091.972793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.972793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.972793 (E_RNA) where: Base-Base interactions energy: -1454.772 where: short stacking energy: -586.582 Base-Backbone interact. energy: -1.212 local terms energy: -635.988639 where: bonds (distance) C4'-P energy: -116.795 bonds (distance) P-C4' energy: -114.808 flat angles C4'-P-C4' energy: -131.073 flat angles P-C4'-P energy: -90.657 tors. eta vs tors. theta energy: -182.655 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: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2012.723878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.723878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.723878 (E_RNA) where: Base-Base interactions energy: -1421.259 where: short stacking energy: -561.003 Base-Backbone interact. energy: -3.947 local terms energy: -587.517477 where: bonds (distance) C4'-P energy: -101.605 bonds (distance) P-C4' energy: -105.072 flat angles C4'-P-C4' energy: -134.256 flat angles P-C4'-P energy: -71.718 tors. eta vs tors. theta energy: -174.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1745.722006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.722006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.722006 (E_RNA) where: Base-Base interactions energy: -1181.127 where: short stacking energy: -494.554 Base-Backbone interact. energy: -0.687 local terms energy: -563.908629 where: bonds (distance) C4'-P energy: -92.195 bonds (distance) P-C4' energy: -113.100 flat angles C4'-P-C4' energy: -114.133 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -161.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1619.278555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.278555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.278555 (E_RNA) where: Base-Base interactions energy: -1077.538 where: short stacking energy: -444.460 Base-Backbone interact. energy: -1.605 local terms energy: -540.135791 where: bonds (distance) C4'-P energy: -106.179 bonds (distance) P-C4' energy: -111.113 flat angles C4'-P-C4' energy: -117.968 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -119.593 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: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1543.262920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.262920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.262920 (E_RNA) where: Base-Base interactions energy: -1046.040 where: short stacking energy: -420.317 Base-Backbone interact. energy: 2.879 local terms energy: -500.102206 where: bonds (distance) C4'-P energy: -111.896 bonds (distance) P-C4' energy: -107.589 flat angles C4'-P-C4' energy: -104.533 flat angles P-C4'-P energy: -60.299 tors. eta vs tors. theta energy: -115.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1238.745732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.745732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.745732 (E_RNA) where: Base-Base interactions energy: -804.824 where: short stacking energy: -359.044 Base-Backbone interact. energy: -1.826 local terms energy: -432.096086 where: bonds (distance) C4'-P energy: -94.451 bonds (distance) P-C4' energy: -98.944 flat angles C4'-P-C4' energy: -108.483 flat angles P-C4'-P energy: -51.033 tors. eta vs tors. theta energy: -79.186 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: 3 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -970.346155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.346155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.346155 (E_RNA) where: Base-Base interactions energy: -606.681 where: short stacking energy: -281.541 Base-Backbone interact. energy: -3.649 local terms energy: -360.016713 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -90.312 flat angles C4'-P-C4' energy: -87.528 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -35.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -2352.048977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.048977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.048977 (E_RNA) where: Base-Base interactions energy: -1668.488 where: short stacking energy: -678.985 Base-Backbone interact. energy: -2.037 local terms energy: -681.524011 where: bonds (distance) C4'-P energy: -123.570 bonds (distance) P-C4' energy: -125.256 flat angles C4'-P-C4' energy: -141.496 flat angles P-C4'-P energy: -94.326 tors. eta vs tors. theta energy: -196.876 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: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2265.889093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.889093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.889093 (E_RNA) where: Base-Base interactions energy: -1581.471 where: short stacking energy: -652.968 Base-Backbone interact. energy: 3.021 local terms energy: -687.439054 where: bonds (distance) C4'-P energy: -133.398 bonds (distance) P-C4' energy: -109.306 flat angles C4'-P-C4' energy: -150.734 flat angles P-C4'-P energy: -93.305 tors. eta vs tors. theta energy: -200.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2197.130923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.130923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.130923 (E_RNA) where: Base-Base interactions energy: -1548.942 where: short stacking energy: -621.622 Base-Backbone interact. energy: -2.143 local terms energy: -646.046158 where: bonds (distance) C4'-P energy: -120.294 bonds (distance) P-C4' energy: -119.700 flat angles C4'-P-C4' energy: -136.129 flat angles P-C4'-P energy: -88.940 tors. eta vs tors. theta energy: -180.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2096.550383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.550383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.550383 (E_RNA) where: Base-Base interactions energy: -1465.592 where: short stacking energy: -588.365 Base-Backbone interact. energy: -1.193 local terms energy: -629.766002 where: bonds (distance) C4'-P energy: -94.157 bonds (distance) P-C4' energy: -118.314 flat angles C4'-P-C4' energy: -137.039 flat angles P-C4'-P energy: -84.377 tors. eta vs tors. theta energy: -195.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2008.433789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.433789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.433789 (E_RNA) where: Base-Base interactions energy: -1409.851 where: short stacking energy: -558.048 Base-Backbone interact. energy: -4.267 local terms energy: -594.315580 where: bonds (distance) C4'-P energy: -106.823 bonds (distance) P-C4' energy: -105.694 flat angles C4'-P-C4' energy: -134.379 flat angles P-C4'-P energy: -71.111 tors. eta vs tors. theta energy: -176.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1745.759600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.759600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.759600 (E_RNA) where: Base-Base interactions energy: -1162.601 where: short stacking energy: -488.016 Base-Backbone interact. energy: -1.350 local terms energy: -581.808446 where: bonds (distance) C4'-P energy: -119.812 bonds (distance) P-C4' energy: -114.838 flat angles C4'-P-C4' energy: -120.027 flat angles P-C4'-P energy: -82.278 tors. eta vs tors. theta energy: -144.853 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: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1608.053962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.053962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.053962 (E_RNA) where: Base-Base interactions energy: -1090.492 where: short stacking energy: -463.690 Base-Backbone interact. energy: -1.112 local terms energy: -516.449417 where: bonds (distance) C4'-P energy: -92.316 bonds (distance) P-C4' energy: -114.854 flat angles C4'-P-C4' energy: -111.840 flat angles P-C4'-P energy: -66.827 tors. eta vs tors. theta energy: -130.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1570.163135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.163135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.163135 (E_RNA) where: Base-Base interactions energy: -1054.142 where: short stacking energy: -444.913 Base-Backbone interact. energy: -1.492 local terms energy: -514.528770 where: bonds (distance) C4'-P energy: -95.762 bonds (distance) P-C4' energy: -109.079 flat angles C4'-P-C4' energy: -113.704 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -126.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1178.189674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.189674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.189674 (E_RNA) where: Base-Base interactions energy: -744.626 where: short stacking energy: -313.140 Base-Backbone interact. energy: -0.892 local terms energy: -432.671651 where: bonds (distance) C4'-P energy: -95.035 bonds (distance) P-C4' energy: -86.259 flat angles C4'-P-C4' energy: -104.045 flat angles P-C4'-P energy: -79.004 tors. eta vs tors. theta energy: -68.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -907.519421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.519421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.519421 (E_RNA) where: Base-Base interactions energy: -523.590 where: short stacking energy: -233.935 Base-Backbone interact. energy: 6.983 local terms energy: -390.913156 where: bonds (distance) C4'-P energy: -105.147 bonds (distance) P-C4' energy: -99.361 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -58.072 tors. eta vs tors. theta energy: -35.074 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: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -2375.002814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.002814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.002814 (E_RNA) where: Base-Base interactions energy: -1668.989 where: short stacking energy: -693.703 Base-Backbone interact. energy: -3.410 local terms energy: -702.604654 where: bonds (distance) C4'-P energy: -117.271 bonds (distance) P-C4' energy: -123.820 flat angles C4'-P-C4' energy: -146.156 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -215.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2272.453788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.453788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.453788 (E_RNA) where: Base-Base interactions energy: -1608.791 where: short stacking energy: -649.190 Base-Backbone interact. energy: -1.225 local terms energy: -662.437587 where: bonds (distance) C4'-P energy: -121.578 bonds (distance) P-C4' energy: -99.411 flat angles C4'-P-C4' energy: -139.450 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -199.895 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: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2191.935665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.935665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.935665 (E_RNA) where: Base-Base interactions energy: -1535.865 where: short stacking energy: -611.818 Base-Backbone interact. energy: 2.270 local terms energy: -658.340430 where: bonds (distance) C4'-P energy: -117.824 bonds (distance) P-C4' energy: -115.743 flat angles C4'-P-C4' energy: -139.949 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -189.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2098.977748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.977748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.977748 (E_RNA) where: Base-Base interactions energy: -1459.028 where: short stacking energy: -593.067 Base-Backbone interact. energy: -0.120 local terms energy: -639.829896 where: bonds (distance) C4'-P energy: -122.049 bonds (distance) P-C4' energy: -111.543 flat angles C4'-P-C4' energy: -130.163 flat angles P-C4'-P energy: -86.629 tors. eta vs tors. theta energy: -189.446 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: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1995.577771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.577771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.577771 (E_RNA) where: Base-Base interactions energy: -1389.093 where: short stacking energy: -568.699 Base-Backbone interact. energy: 3.443 local terms energy: -609.928322 where: bonds (distance) C4'-P energy: -105.618 bonds (distance) P-C4' energy: -116.907 flat angles C4'-P-C4' energy: -125.399 flat angles P-C4'-P energy: -80.492 tors. eta vs tors. theta energy: -181.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1763.043578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.043578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.043578 (E_RNA) where: Base-Base interactions energy: -1207.828 where: short stacking energy: -519.075 Base-Backbone interact. energy: 0.999 local terms energy: -556.214890 where: bonds (distance) C4'-P energy: -99.295 bonds (distance) P-C4' energy: -113.707 flat angles C4'-P-C4' energy: -122.416 flat angles P-C4'-P energy: -83.687 tors. eta vs tors. theta energy: -137.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1594.695533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.695533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.695533 (E_RNA) where: Base-Base interactions energy: -1075.652 where: short stacking energy: -434.960 Base-Backbone interact. energy: -1.076 local terms energy: -517.967559 where: bonds (distance) C4'-P energy: -100.300 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -120.083 flat angles P-C4'-P energy: -76.613 tors. eta vs tors. theta energy: -127.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1534.871826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.871826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.871826 (E_RNA) where: Base-Base interactions energy: -1049.605 where: short stacking energy: -430.572 Base-Backbone interact. energy: -1.279 local terms energy: -483.988382 where: bonds (distance) C4'-P energy: -75.506 bonds (distance) P-C4' energy: -103.035 flat angles C4'-P-C4' energy: -110.770 flat angles P-C4'-P energy: -77.925 tors. eta vs tors. theta energy: -116.752 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: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1236.394089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.394089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.394089 (E_RNA) where: Base-Base interactions energy: -782.848 where: short stacking energy: -343.779 Base-Backbone interact. energy: -2.441 local terms energy: -451.105002 where: bonds (distance) C4'-P energy: -103.906 bonds (distance) P-C4' energy: -117.886 flat angles C4'-P-C4' energy: -96.267 flat angles P-C4'-P energy: -54.650 tors. eta vs tors. theta energy: -78.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -941.886069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.886069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.886069 (E_RNA) where: Base-Base interactions energy: -569.627 where: short stacking energy: -274.533 Base-Backbone interact. energy: 5.269 local terms energy: -377.528092 where: bonds (distance) C4'-P energy: -86.688 bonds (distance) P-C4' energy: -95.688 flat angles C4'-P-C4' energy: -97.830 flat angles P-C4'-P energy: -63.822 tors. eta vs tors. theta energy: -33.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -2344.762284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.762284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.762284 (E_RNA) where: Base-Base interactions energy: -1649.501 where: short stacking energy: -670.006 Base-Backbone interact. energy: -3.441 local terms energy: -691.819952 where: bonds (distance) C4'-P energy: -119.986 bonds (distance) P-C4' energy: -126.761 flat angles C4'-P-C4' energy: -146.829 flat angles P-C4'-P energy: -94.184 tors. eta vs tors. theta energy: -204.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2284.786070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.786070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.786070 (E_RNA) where: Base-Base interactions energy: -1599.864 where: short stacking energy: -673.422 Base-Backbone interact. energy: -1.139 local terms energy: -683.782616 where: bonds (distance) C4'-P energy: -121.094 bonds (distance) P-C4' energy: -113.739 flat angles C4'-P-C4' energy: -151.866 flat angles P-C4'-P energy: -104.712 tors. eta vs tors. theta energy: -192.371 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: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2208.858272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.858272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.858272 (E_RNA) where: Base-Base interactions energy: -1541.393 where: short stacking energy: -632.000 Base-Backbone interact. energy: -5.249 local terms energy: -662.216211 where: bonds (distance) C4'-P energy: -116.207 bonds (distance) P-C4' energy: -116.287 flat angles C4'-P-C4' energy: -140.592 flat angles P-C4'-P energy: -86.775 tors. eta vs tors. theta energy: -202.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2090.926257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.926257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.926257 (E_RNA) where: Base-Base interactions energy: -1443.979 where: short stacking energy: -588.991 Base-Backbone interact. energy: -3.307 local terms energy: -643.640052 where: bonds (distance) C4'-P energy: -114.148 bonds (distance) P-C4' energy: -117.324 flat angles C4'-P-C4' energy: -139.771 flat angles P-C4'-P energy: -85.429 tors. eta vs tors. theta energy: -186.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1990.058213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.058213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.058213 (E_RNA) where: Base-Base interactions energy: -1374.819 where: short stacking energy: -558.119 Base-Backbone interact. energy: -1.557 local terms energy: -613.682557 where: bonds (distance) C4'-P energy: -103.691 bonds (distance) P-C4' energy: -108.488 flat angles C4'-P-C4' energy: -130.741 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -167.798 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: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1750.469691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.469691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.469691 (E_RNA) where: Base-Base interactions energy: -1173.111 where: short stacking energy: -504.126 Base-Backbone interact. energy: -0.782 local terms energy: -576.576967 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -117.206 flat angles C4'-P-C4' energy: -129.259 flat angles P-C4'-P energy: -78.113 tors. eta vs tors. theta energy: -140.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1623.209876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.209876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.209876 (E_RNA) where: Base-Base interactions energy: -1078.474 where: short stacking energy: -452.120 Base-Backbone interact. energy: 0.650 local terms energy: -545.386709 where: bonds (distance) C4'-P energy: -94.054 bonds (distance) P-C4' energy: -102.945 flat angles C4'-P-C4' energy: -116.790 flat angles P-C4'-P energy: -94.828 tors. eta vs tors. theta energy: -136.769 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: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1521.344243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.344243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.344243 (E_RNA) where: Base-Base interactions energy: -1041.965 where: short stacking energy: -456.010 Base-Backbone interact. energy: 1.100 local terms energy: -480.479506 where: bonds (distance) C4'-P energy: -82.637 bonds (distance) P-C4' energy: -98.119 flat angles C4'-P-C4' energy: -114.846 flat angles P-C4'-P energy: -64.325 tors. eta vs tors. theta energy: -120.553 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: 9, replica: 7 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1178.715950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.715950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.715950 (E_RNA) where: Base-Base interactions energy: -754.750 where: short stacking energy: -328.619 Base-Backbone interact. energy: 1.470 local terms energy: -425.436730 where: bonds (distance) C4'-P energy: -83.333 bonds (distance) P-C4' energy: -96.223 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -68.442 tors. eta vs tors. theta energy: -72.845 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: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -869.872558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.872558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.872558 (E_RNA) where: Base-Base interactions energy: -499.204 where: short stacking energy: -246.225 Base-Backbone interact. energy: -3.750 local terms energy: -366.918741 where: bonds (distance) C4'-P energy: -104.414 bonds (distance) P-C4' energy: -93.218 flat angles C4'-P-C4' energy: -111.131 flat angles P-C4'-P energy: -54.625 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -2356.562278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.562278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.562278 (E_RNA) where: Base-Base interactions energy: -1662.853 where: short stacking energy: -678.174 Base-Backbone interact. energy: -3.655 local terms energy: -690.053901 where: bonds (distance) C4'-P energy: -105.600 bonds (distance) P-C4' energy: -119.632 flat angles C4'-P-C4' energy: -156.417 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -214.066 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: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2292.481065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.481065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.481065 (E_RNA) where: Base-Base interactions energy: -1617.024 where: short stacking energy: -655.567 Base-Backbone interact. energy: 1.280 local terms energy: -676.736352 where: bonds (distance) C4'-P energy: -104.351 bonds (distance) P-C4' energy: -136.305 flat angles C4'-P-C4' energy: -145.901 flat angles P-C4'-P energy: -94.850 tors. eta vs tors. theta energy: -195.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2209.501936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.501936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.501936 (E_RNA) where: Base-Base interactions energy: -1556.857 where: short stacking energy: -668.509 Base-Backbone interact. energy: -0.792 local terms energy: -651.852997 where: bonds (distance) C4'-P energy: -106.601 bonds (distance) P-C4' energy: -106.196 flat angles C4'-P-C4' energy: -138.159 flat angles P-C4'-P energy: -93.055 tors. eta vs tors. theta energy: -207.843 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: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2109.322366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.322366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.322366 (E_RNA) where: Base-Base interactions energy: -1483.703 where: short stacking energy: -578.798 Base-Backbone interact. energy: -0.474 local terms energy: -625.145754 where: bonds (distance) C4'-P energy: -110.255 bonds (distance) P-C4' energy: -109.161 flat angles C4'-P-C4' energy: -144.115 flat angles P-C4'-P energy: -85.869 tors. eta vs tors. theta energy: -175.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2006.715563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.715563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.715563 (E_RNA) where: Base-Base interactions energy: -1422.231 where: short stacking energy: -588.771 Base-Backbone interact. energy: -0.137 local terms energy: -584.347038 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -116.444 flat angles C4'-P-C4' energy: -127.375 flat angles P-C4'-P energy: -77.940 tors. eta vs tors. theta energy: -175.541 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: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1672.058514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.058514 (E_RNA) where: Base-Base interactions energy: -1137.782 where: short stacking energy: -464.900 Base-Backbone interact. energy: -0.202 local terms energy: -534.074135 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -108.521 flat angles C4'-P-C4' energy: -118.476 flat angles P-C4'-P energy: -86.695 tors. eta vs tors. theta energy: -127.386 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: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1733.783910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.783910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.783910 (E_RNA) where: Base-Base interactions energy: -1194.580 where: short stacking energy: -488.801 Base-Backbone interact. energy: -0.585 local terms energy: -538.618482 where: bonds (distance) C4'-P energy: -93.943 bonds (distance) P-C4' energy: -98.983 flat angles C4'-P-C4' energy: -120.253 flat angles P-C4'-P energy: -82.959 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: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1537.767864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.767864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.767864 (E_RNA) where: Base-Base interactions energy: -1032.144 where: short stacking energy: -444.096 Base-Backbone interact. energy: -2.513 local terms energy: -503.110300 where: bonds (distance) C4'-P energy: -91.208 bonds (distance) P-C4' energy: -91.309 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -75.053 tors. eta vs tors. theta energy: -126.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1181.500581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.500581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.500581 (E_RNA) where: Base-Base interactions energy: -763.908 where: short stacking energy: -339.602 Base-Backbone interact. energy: -0.380 local terms energy: -417.212532 where: bonds (distance) C4'-P energy: -106.242 bonds (distance) P-C4' energy: -101.152 flat angles C4'-P-C4' energy: -104.996 flat angles P-C4'-P energy: -41.928 tors. eta vs tors. theta energy: -62.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -891.292319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.292319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.292319 (E_RNA) where: Base-Base interactions energy: -501.225 where: short stacking energy: -236.272 Base-Backbone interact. energy: -3.473 local terms energy: -386.594520 where: bonds (distance) C4'-P energy: -95.993 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -78.000 flat angles P-C4'-P energy: -63.776 tors. eta vs tors. theta energy: -34.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -2356.427611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.427611 (E_RNA) where: Base-Base interactions energy: -1663.793 where: short stacking energy: -666.206 Base-Backbone interact. energy: -2.381 local terms energy: -690.253466 where: bonds (distance) C4'-P energy: -113.134 bonds (distance) P-C4' energy: -123.479 flat angles C4'-P-C4' energy: -145.141 flat angles P-C4'-P energy: -98.861 tors. eta vs tors. theta energy: -209.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2280.717515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.717515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.717515 (E_RNA) where: Base-Base interactions energy: -1597.407 where: short stacking energy: -656.892 Base-Backbone interact. energy: -2.642 local terms energy: -680.668514 where: bonds (distance) C4'-P energy: -108.575 bonds (distance) P-C4' energy: -120.984 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -107.839 tors. eta vs tors. theta energy: -201.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2206.321622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.321622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.321622 (E_RNA) where: Base-Base interactions energy: -1567.783 where: short stacking energy: -642.186 Base-Backbone interact. energy: 0.654 local terms energy: -639.192475 where: bonds (distance) C4'-P energy: -112.299 bonds (distance) P-C4' energy: -112.242 flat angles C4'-P-C4' energy: -136.905 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -198.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2064.111434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.111434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.111434 (E_RNA) where: Base-Base interactions energy: -1456.919 where: short stacking energy: -591.199 Base-Backbone interact. energy: -2.054 local terms energy: -605.138850 where: bonds (distance) C4'-P energy: -114.452 bonds (distance) P-C4' energy: -120.012 flat angles C4'-P-C4' energy: -128.772 flat angles P-C4'-P energy: -71.968 tors. eta vs tors. theta energy: -169.936 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: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2019.582410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.582410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.582410 (E_RNA) where: Base-Base interactions energy: -1416.708 where: short stacking energy: -593.000 Base-Backbone interact. energy: -1.035 local terms energy: -601.839606 where: bonds (distance) C4'-P energy: -100.636 bonds (distance) P-C4' energy: -105.745 flat angles C4'-P-C4' energy: -137.759 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -185.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1700.941802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.941802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.941802 (E_RNA) where: Base-Base interactions energy: -1140.169 where: short stacking energy: -495.218 Base-Backbone interact. energy: -0.841 local terms energy: -559.932010 where: bonds (distance) C4'-P energy: -118.483 bonds (distance) P-C4' energy: -103.742 flat angles C4'-P-C4' energy: -119.711 flat angles P-C4'-P energy: -77.217 tors. eta vs tors. theta energy: -140.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1701.882246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.882246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.882246 (E_RNA) where: Base-Base interactions energy: -1148.122 where: short stacking energy: -474.772 Base-Backbone interact. energy: -2.791 local terms energy: -550.968447 where: bonds (distance) C4'-P energy: -124.813 bonds (distance) P-C4' energy: -107.168 flat angles C4'-P-C4' energy: -122.186 flat angles P-C4'-P energy: -70.620 tors. eta vs tors. theta energy: -126.181 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: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1510.464011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.464011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.464011 (E_RNA) where: Base-Base interactions energy: -1000.242 where: short stacking energy: -429.458 Base-Backbone interact. energy: 0.647 local terms energy: -510.869436 where: bonds (distance) C4'-P energy: -108.594 bonds (distance) P-C4' energy: -104.187 flat angles C4'-P-C4' energy: -122.195 flat angles P-C4'-P energy: -64.817 tors. eta vs tors. theta energy: -111.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1209.012706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.012706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.012706 (E_RNA) where: Base-Base interactions energy: -769.634 where: short stacking energy: -357.007 Base-Backbone interact. energy: -2.547 local terms energy: -436.830984 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -112.486 flat angles C4'-P-C4' energy: -96.260 flat angles P-C4'-P energy: -67.790 tors. eta vs tors. theta energy: -69.571 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: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -896.035709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.035709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.035709 (E_RNA) where: Base-Base interactions energy: -518.926 where: short stacking energy: -240.905 Base-Backbone interact. energy: 2.380 local terms energy: -379.490146 where: bonds (distance) C4'-P energy: -93.272 bonds (distance) P-C4' energy: -115.800 flat angles C4'-P-C4' energy: -93.050 flat angles P-C4'-P energy: -51.475 tors. eta vs tors. theta energy: -25.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -2336.403123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.403123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.403123 (E_RNA) where: Base-Base interactions energy: -1636.401 where: short stacking energy: -663.191 Base-Backbone interact. energy: -2.582 local terms energy: -697.419964 where: bonds (distance) C4'-P energy: -123.103 bonds (distance) P-C4' energy: -132.897 flat angles C4'-P-C4' energy: -143.225 flat angles P-C4'-P energy: -92.244 tors. eta vs tors. theta energy: -205.951 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: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2243.052781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.052781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.052781 (E_RNA) where: Base-Base interactions energy: -1554.370 where: short stacking energy: -646.992 Base-Backbone interact. energy: -0.819 local terms energy: -687.863522 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -130.943 flat angles C4'-P-C4' energy: -143.747 flat angles P-C4'-P energy: -95.605 tors. eta vs tors. theta energy: -196.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2227.784845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.784845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.784845 (E_RNA) where: Base-Base interactions energy: -1548.867 where: short stacking energy: -629.207 Base-Backbone interact. energy: -1.960 local terms energy: -676.958540 where: bonds (distance) C4'-P energy: -113.010 bonds (distance) P-C4' energy: -136.760 flat angles C4'-P-C4' energy: -134.098 flat angles P-C4'-P energy: -94.106 tors. eta vs tors. theta energy: -198.985 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: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2080.283038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.283038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.283038 (E_RNA) where: Base-Base interactions energy: -1469.109 where: short stacking energy: -612.009 Base-Backbone interact. energy: -0.686 local terms energy: -610.488398 where: bonds (distance) C4'-P energy: -103.356 bonds (distance) P-C4' energy: -98.987 flat angles C4'-P-C4' energy: -126.627 flat angles P-C4'-P energy: -99.819 tors. eta vs tors. theta energy: -181.701 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: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2051.824259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.824259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.824259 (E_RNA) where: Base-Base interactions energy: -1434.380 where: short stacking energy: -586.371 Base-Backbone interact. energy: -5.294 local terms energy: -612.150733 where: bonds (distance) C4'-P energy: -122.903 bonds (distance) P-C4' energy: -109.775 flat angles C4'-P-C4' energy: -125.706 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -184.075 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1732.790912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.790912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.790912 (E_RNA) where: Base-Base interactions energy: -1195.564 where: short stacking energy: -515.711 Base-Backbone interact. energy: -1.004 local terms energy: -536.222741 where: bonds (distance) C4'-P energy: -84.636 bonds (distance) P-C4' energy: -97.879 flat angles C4'-P-C4' energy: -129.175 flat angles P-C4'-P energy: -77.604 tors. eta vs tors. theta energy: -146.929 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: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1609.813884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.813884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.813884 (E_RNA) where: Base-Base interactions energy: -1096.124 where: short stacking energy: -463.029 Base-Backbone interact. energy: -0.258 local terms energy: -513.431695 where: bonds (distance) C4'-P energy: -103.336 bonds (distance) P-C4' energy: -103.537 flat angles C4'-P-C4' energy: -124.733 flat angles P-C4'-P energy: -61.189 tors. eta vs tors. theta energy: -120.637 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: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1507.582366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.582366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.582366 (E_RNA) where: Base-Base interactions energy: -1013.063 where: short stacking energy: -428.006 Base-Backbone interact. energy: -0.073 local terms energy: -494.446762 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -115.127 flat angles C4'-P-C4' energy: -113.170 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -109.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1203.549323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.549323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.549323 (E_RNA) where: Base-Base interactions energy: -754.178 where: short stacking energy: -333.560 Base-Backbone interact. energy: 0.593 local terms energy: -449.963704 where: bonds (distance) C4'-P energy: -105.038 bonds (distance) P-C4' energy: -104.350 flat angles C4'-P-C4' energy: -105.391 flat angles P-C4'-P energy: -68.817 tors. eta vs tors. theta energy: -66.368 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: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -932.105584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.105584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.105584 (E_RNA) where: Base-Base interactions energy: -562.359 where: short stacking energy: -272.925 Base-Backbone interact. energy: 6.285 local terms energy: -376.032154 where: bonds (distance) C4'-P energy: -85.787 bonds (distance) P-C4' energy: -101.464 flat angles C4'-P-C4' energy: -98.223 flat angles P-C4'-P energy: -65.245 tors. eta vs tors. theta energy: -25.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -2340.274272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.274272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.274272 (E_RNA) where: Base-Base interactions energy: -1636.919 where: short stacking energy: -665.535 Base-Backbone interact. energy: -4.598 local terms energy: -698.757592 where: bonds (distance) C4'-P energy: -120.748 bonds (distance) P-C4' energy: -119.987 flat angles C4'-P-C4' energy: -152.673 flat angles P-C4'-P energy: -98.319 tors. eta vs tors. theta energy: -207.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2257.036856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.036856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.036856 (E_RNA) where: Base-Base interactions energy: -1585.959 where: short stacking energy: -652.636 Base-Backbone interact. energy: -2.732 local terms energy: -668.346147 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -125.903 flat angles C4'-P-C4' energy: -145.536 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -192.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2208.554280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.554280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.554280 (E_RNA) where: Base-Base interactions energy: -1528.627 where: short stacking energy: -629.591 Base-Backbone interact. energy: -1.381 local terms energy: -678.545885 where: bonds (distance) C4'-P energy: -118.957 bonds (distance) P-C4' energy: -126.955 flat angles C4'-P-C4' energy: -142.998 flat angles P-C4'-P energy: -98.506 tors. eta vs tors. theta energy: -191.129 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: 462 Temperature: 1.050000 Total energy: -2058.382743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.382743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.382743 (E_RNA) where: Base-Base interactions energy: -1409.799 where: short stacking energy: -587.391 Base-Backbone interact. energy: 1.645 local terms energy: -650.228138 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -121.673 flat angles C4'-P-C4' energy: -133.777 flat angles P-C4'-P energy: -87.550 tors. eta vs tors. theta energy: -190.228 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2036.352077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.352077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.352077 (E_RNA) where: Base-Base interactions energy: -1420.457 where: short stacking energy: -567.022 Base-Backbone interact. energy: -4.315 local terms energy: -611.580358 where: bonds (distance) C4'-P energy: -106.636 bonds (distance) P-C4' energy: -116.655 flat angles C4'-P-C4' energy: -123.365 flat angles P-C4'-P energy: -96.591 tors. eta vs tors. theta energy: -168.333 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: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1695.912507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.912507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.912507 (E_RNA) where: Base-Base interactions energy: -1131.567 where: short stacking energy: -491.859 Base-Backbone interact. energy: -1.793 local terms energy: -562.551790 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -108.648 flat angles C4'-P-C4' energy: -106.157 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -129.534 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: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1616.778677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.778677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.778677 (E_RNA) where: Base-Base interactions energy: -1067.477 where: short stacking energy: -448.705 Base-Backbone interact. energy: -0.015 local terms energy: -549.286639 where: bonds (distance) C4'-P energy: -104.092 bonds (distance) P-C4' energy: -111.283 flat angles C4'-P-C4' energy: -131.784 flat angles P-C4'-P energy: -78.711 tors. eta vs tors. theta energy: -123.417 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: 462 Temperature: 1.250000 Total energy: -1457.558797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.558797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.558797 (E_RNA) where: Base-Base interactions energy: -960.512 where: short stacking energy: -408.156 Base-Backbone interact. energy: 0.927 local terms energy: -497.973385 where: bonds (distance) C4'-P energy: -125.490 bonds (distance) P-C4' energy: -91.810 flat angles C4'-P-C4' energy: -106.251 flat angles P-C4'-P energy: -69.877 tors. eta vs tors. theta energy: -104.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1190.853555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.853555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.853555 (E_RNA) where: Base-Base interactions energy: -732.837 where: short stacking energy: -311.786 Base-Backbone interact. energy: 3.886 local terms energy: -461.902522 where: bonds (distance) C4'-P energy: -97.084 bonds (distance) P-C4' energy: -112.965 flat angles C4'-P-C4' energy: -112.541 flat angles P-C4'-P energy: -81.287 tors. eta vs tors. theta energy: -58.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -919.085652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.085652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.085652 (E_RNA) where: Base-Base interactions energy: -536.620 where: short stacking energy: -238.927 Base-Backbone interact. energy: -0.745 local terms energy: -381.719959 where: bonds (distance) C4'-P energy: -81.794 bonds (distance) P-C4' energy: -109.820 flat angles C4'-P-C4' energy: -87.955 flat angles P-C4'-P energy: -66.926 tors. eta vs tors. theta energy: -35.225 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: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -2368.936260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.936260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.936260 (E_RNA) where: Base-Base interactions energy: -1659.268 where: short stacking energy: -664.466 Base-Backbone interact. energy: -1.988 local terms energy: -707.680162 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -122.521 flat angles C4'-P-C4' energy: -147.367 flat angles P-C4'-P energy: -111.199 tors. eta vs tors. theta energy: -207.810 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: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2269.851549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.851549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.851549 (E_RNA) where: Base-Base interactions energy: -1587.986 where: short stacking energy: -653.081 Base-Backbone interact. energy: -0.966 local terms energy: -680.898790 where: bonds (distance) C4'-P energy: -130.308 bonds (distance) P-C4' energy: -106.180 flat angles C4'-P-C4' energy: -143.232 flat angles P-C4'-P energy: -97.316 tors. eta vs tors. theta energy: -203.863 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: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2166.457015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.457015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.457015 (E_RNA) where: Base-Base interactions energy: -1517.461 where: short stacking energy: -607.252 Base-Backbone interact. energy: -0.202 local terms energy: -648.794060 where: bonds (distance) C4'-P energy: -119.863 bonds (distance) P-C4' energy: -110.708 flat angles C4'-P-C4' energy: -132.216 flat angles P-C4'-P energy: -85.216 tors. eta vs tors. theta energy: -200.791 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: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2075.959965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.959965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.959965 (E_RNA) where: Base-Base interactions energy: -1476.322 where: short stacking energy: -571.635 Base-Backbone interact. energy: -1.385 local terms energy: -598.253440 where: bonds (distance) C4'-P energy: -109.455 bonds (distance) P-C4' energy: -104.110 flat angles C4'-P-C4' energy: -125.984 flat angles P-C4'-P energy: -83.829 tors. eta vs tors. theta energy: -174.875 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: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1988.530214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.530214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.530214 (E_RNA) where: Base-Base interactions energy: -1359.015 where: short stacking energy: -559.015 Base-Backbone interact. energy: -1.840 local terms energy: -627.675137 where: bonds (distance) C4'-P energy: -115.215 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -137.820 flat angles P-C4'-P energy: -88.635 tors. eta vs tors. theta energy: -162.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1735.615178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.615178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.615178 (E_RNA) where: Base-Base interactions energy: -1192.459 where: short stacking energy: -505.820 Base-Backbone interact. energy: -0.286 local terms energy: -542.869344 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -123.164 flat angles P-C4'-P energy: -88.188 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: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1579.888093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.888093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.888093 (E_RNA) where: Base-Base interactions energy: -1033.564 where: short stacking energy: -450.770 Base-Backbone interact. energy: -1.429 local terms energy: -544.895800 where: bonds (distance) C4'-P energy: -103.672 bonds (distance) P-C4' energy: -103.926 flat angles C4'-P-C4' energy: -125.068 flat angles P-C4'-P energy: -79.127 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: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1457.735879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.735879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.735879 (E_RNA) where: Base-Base interactions energy: -963.774 where: short stacking energy: -399.746 Base-Backbone interact. energy: 2.936 local terms energy: -496.897649 where: bonds (distance) C4'-P energy: -106.152 bonds (distance) P-C4' energy: -115.854 flat angles C4'-P-C4' energy: -100.756 flat angles P-C4'-P energy: -74.267 tors. eta vs tors. theta energy: -99.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1190.611240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.611240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.611240 (E_RNA) where: Base-Base interactions energy: -755.282 where: short stacking energy: -337.912 Base-Backbone interact. energy: -1.007 local terms energy: -434.322349 where: bonds (distance) C4'-P energy: -113.816 bonds (distance) P-C4' energy: -101.641 flat angles C4'-P-C4' energy: -99.172 flat angles P-C4'-P energy: -42.829 tors. eta vs tors. theta energy: -76.864 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: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -892.312219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.312219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.312219 (E_RNA) where: Base-Base interactions energy: -480.697 where: short stacking energy: -242.976 Base-Backbone interact. energy: -1.154 local terms energy: -410.461382 where: bonds (distance) C4'-P energy: -120.254 bonds (distance) P-C4' energy: -96.984 flat angles C4'-P-C4' energy: -101.895 flat angles P-C4'-P energy: -58.582 tors. eta vs tors. theta energy: -32.746 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)