[gmx-users] which flag for the force

Mark Abraham mark.abraham at anu.edu.au
Tue Jun 8 11:12:05 CEST 2010

----- Original Message -----
From: Sebastian Waltz <sebastian.waltz at physik.uni-freiburg.de>
Date: Tuesday, June 8, 2010 18:48
Subject: [gmx-users] which flag for the force
To: gmx-users at gromacs.org

> Hi all,
> I want to get the forces out of the .trr file using the
> template.c given. My question is what flag should I use in
> the last loop to get the force f? I don't find anything in
> the directory which is given in the example.

Look at how (e.g.) trjconv does it.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100608/6eb417be/attachment.html>

More information about the gromacs.org_gmx-users mailing list