On Mon, Nov 30, 2009, M. Shahid wrote:
>
> I have problems while working with a protein which contain FAD.
> > FAD=loadmol2 FAD.mol2
You need not only a mol2 file to establish charges and atom types, but a
"frcmod" file to establish force field parameters. As an example, you could
look at the NAD files posted by Ross Walker at the contributed parameters
web site:
http://www.pharmacy.manchester.ac.uk/bryce/amber
There are all kinds of discussions of this on the mailing list: go to
http://archive.ambermd.org/ and search on "FAD".
...dac
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Received on Mon Nov 30 2009 - 05:30:04 PST
