log started: Sat Jul 21 18:54:20 2007 Log file: ./leap_GDP.log > verbosity 2 Verbosity level: 2 > GDP_dat = loadamberparams GDP.dat Loading parameters: ./GDP.dat Reading force field mod type file (frcmod) (UNKNOWN ATOM TYPE: O3) > loadAmberPrep GDP.prep Loading Prep file: ./GDP.prep (UNKNOWN ATOM TYPE: O3) (UNKNOWN ATOM TYPE: O3) (UNKNOWN ATOM TYPE: O3) Loaded UNIT: GDP > GDP_loaded = loadpdb ./GDP.pdb Loading PDB file: ./GDP.pdb Matching PDB residue names to LEaP variables. (Residue 0: GDP, Terminal/last, was not found in name map.) total atoms in file: 40 > saveamberparm GDP_loaded GDP_loaded.PARM GDP_loaded.INPCRD Checking Unit. WARNING: The unperturbed charge of the unit: -3.000000 is not zero. -- ignoring the warning. Building topology. Building atom parameters. Building bond parameters. Building angle parameters. Building proper torsion parameters. Building improper torsion parameters. ** Warning: No sp2 improper torsion term for NC-CB-CB-N* atoms are: N3 C5 C4 N9 ** Warning: No sp2 improper torsion term for NB-C-CB-CB atoms are: N7 C6 C5 C4 old PREP-specified impropers: : C8 C4 N9 C1* : C5 N1 C6 O6 : C6 C2 N1 H1N : C2 H21 N2 H22 : N7 N9 C8 H80 : N1 N3 C2 N2 --Impropers: 1 C1* - C8 - N9 - C4 1 C2 - H21 - N2 - H22 1 C5 - O6 - C6 - N1 1 C6 - H1N - N1 - C2 1 N1 - N2 - C2 - N3 1 N9 - H80 - C8 - N7 total 6 improper torsions applied 6 improper torsions in old prep form Building H-Bond parameters. Not Marking per-residue atom chain types. Marking per-residue atom chain types. (no restraints) > quit Quit