Re: [AMBER] frcmod.urea

From: case <>
Date: Tue, 1 Feb 2011 12:25:06 -0500

On Tue, Feb 01, 2011, Adrian Roitberg wrote:

> > Using this file may i creat urea molecule? or prep file needed?

A prep file is also needed.

> > whem i put flowing command in
> > xleap -f leaprc.ff03

Note: you must(?) be using a outdated version of AmberTools. You should
update, and use leaprc.ff03.r1 (*not* leaprc.ff03)

> > UMY=loadamberparams frcmod.urea
> >
> > it give at the end
> > UNKNOWN KEYWORD:in the parameter file

I can't reproduce this fine for me (but of course be sure
to fix the problem pointed out by Dr. Roitberg.) What version of Amber are
you using?


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Received on Tue Feb 01 2011 - 09:30:11 PST
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