AMBER Archive (2002)

Subject: Re: frcmod file format

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Tue Feb 12 2002 - 01:05:54 CST

Or should the web definition be too impenetrable, just copy one from a
tutorial (e.g. plastocyanin), remove the "|" and comments and replace it by
your parameters.

Cheers,

     Martin Lepsik

----- Original Message -----
From: "Sophia Kondratova" <x357l_at_unb.ca>
To: "amber" <>
Sent: Monday, February 11, 2002 7:16 PM
Subject: frcmod file format

> Hi, when making an frcmod file, what are the details of the file format
that I
> would have to follow. I know that I need a title (followed by a blank
line??),
> followed by the different keywords, which appear in columns 1-4, but as
for
> the actual parameters under these keywords (bond constants, bond lenghs
...
> etc)I don't know in which columns they should be.
> Thanks for your help