AMBER Archive (2006)

Subject: Re: AMBER: generate "template" frcmod from standard residues?

From: David A. Case (case_at_scripps.edu)
Date: Thu Aug 17 2006 - 11:04:22 CDT

On Wed, Aug 16, 2006, mernst_at_tricity.wsu.edu wrote:
>
> I need a frcmod file. But from the manual and mailing list it seems that
> only parmchk generates frcmod files automatically, and it only generates
> entries for missing parameters or types. I would like to generate a frcmod
> file that contains all entries for a residue, not just the missing ones.

This is just a guess: have you tried creating a almost-empty gaff.dat file?
That is, one that has just one bond, one angle, etc which are not in your
system. It seems to me that then parmchk would not find any of the needed
parameters, and would provide a template that included all of them.

...dac
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