[gmx-users] RE: gmx-users Digest, Vol 29, Issue 23

Copps, Jeffrey JeffreyCopps at creighton.edu
Mon Sep 11 15:52:37 CEST 2006

Message: 6
Date: Sun, 10 Sep 2006 18:02:50 -0700
From: David van der Spoel <spoel at xray.bmc.uu.se>
Subject: Re: [gmx-users] TFE .gro files
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Message-ID: <4504B5BA.2050106 at xray.bmc.uu.se>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed

Copps, Jeffrey wrote:
>      Hello all,
>      Does anyone have TFE (trifluoroethanol) .gro files that they might
> be willing to share?  Or, barring that, can anyone tell me how to create
> a solvent .gro file?
>      Much thanks,
>      Jeff Copps
> ------------------------------------------------------------------------
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
how about the united atom one in the share/gromacs/top directory?
otherwise, use prodrg followed by genconf and pressure coupled MD.


Unfortunately, unless it's under some unintuitive filename, it's missing from my share/top directory.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060911/e22fca15/attachment.html>

More information about the gromacs.org_gmx-users mailing list