|In order to know which parameters you are missing for
your compound (Protein/ligand), you should use antechamber program and parameter
check program (parmchk), these two programs are shipped with
Antechamber to assign the atom types, and parmchk to find the missing ones, Antechamber can be used in cooporation with gaff.
Note: Gaussian versions upto 03 uses parm94 force field, so YOU HAVE TO define parm95 in your command in parmchk (-p parm95).
Mahmoud A. A. Ibrahim
School of Chemistry, University of Manchester,
Oxford Road, Manchester, M13 9PL, United Kingdom.
Chemistry Department, Faculty of Science,
Mobile Phone No.: +20102554083
Land Phone No.: +20226635916
Fax No.: +20862342601
--- On Tue, 7/21/09, Beatriz C Ramirez bea_ucv__yahoo.com <owner-chemistry/a\ccl.net> wrote: