AMBER Archive (2009)

Subject: Re: [AMBER] problem with FAD in tleap

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Nov 30 2009 - 07:26:37 CST

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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