[gmx-users] .trr forces into VMD

[Berk Hess]

Hi,

g_traj can write |f| or components of f in the b-factor field of a pdb file.
I guess VMD can read and display that.
I don't know if that will fulfill your needs.

Berk

> Date: Wed, 20 May 2009 00:19:59 +1000
> From: Mark.Abraham at anu.edu.au
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] .trr forces into VMD
> 
> Matteus Lindgren wrote:
> > Hi all
> > 
> >  
> > 
> > I am looking for a way to import forces from a gromacs run into VMD for 
> > analysis. From a mdrun –rerun I have forces in a .trr file but VMD only 
> > reads the coordinates. Can you think of any way to get the forces into 
> > vmd instead of the coordinates?
> 
> If VMD will only import positions from .trr files, then you could write 
> a forces-only .trr file and through a code hack or hex edit, force the 
> frame header to describe them as positions. Or, write a new VMD plugin. 
> Or, modify the VMD source suitably.
> 
> Mark
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> 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

_________________________________________________________________
Express yourself instantly with MSN Messenger! Download today it's FREE!
http://messenger.msn.click-url.com/go/onm00200471ave/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090519/9e85fe8d/attachment.html>