VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Feb 20 2011 - 12:25:46 CST
- Next message: Jérôme Hénin: "Re: atoms selection"
- Previous message: Axel Kohlmeyer: "Re: atoms selection"
- In reply to: alamng_at_uci.edu: "ParaTool"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
On Sat, Feb 19, 2011 at 4:43 PM, <alamng_at_uci.edu> wrote:
> Hi Everyone!
>
> I have a problem using ParaTool.
> I have already the optimized geometry and charges files.
> When I load the optimized geometry file I get this
> message from VMD:
>
> Invalid Command lrevert
>
> Could anyone help to me with this?
lrevert is part of paratool. so it should be available.
what version of VMD is this and what platform are you on?
please create a biocore userid (if you don't have one already)
http://www.ks.uiuc.edu/Research/biocore/
you can then download and test the latest VMD 1.9beta version
http://www.ks.uiuc.edu/Research/vmd/alpha/
if the problem persists go to the "VMD (public)" project on biocore
again and create a subdirectory under "testfiles" and deposit
all files needed to reproduce the error and a short README
describing the steps that you do to get there.
thanks,
axel.
> Thanks a lot.
> Alfonso
>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 Institute for Computational Molecular Science Temple University, Philadelphia PA, USA.
- Next message: Jérôme Hénin: "Re: atoms selection"
- Previous message: Axel Kohlmeyer: "Re: atoms selection"
- In reply to: alamng_at_uci.edu: "ParaTool"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]