[gmx-users] minimization

Mark Abraham mark.abraham at anu.edu.au
Fri Aug 7 09:55:50 CEST 2009

On 08/07/09, Morteza Khabiri <khabiri at greentech.cz> wrote:
> Dear users
> I have a dimer protein which I want to minimized it..unfortunately the
> protein is in high energy level and before starting to minimize it
> explode.
> I already went through users email and also wiki gromacs and also I tried
> all the way like changing time step, change coulomb type ,... but they did
> not work and still the protein at the first step of minimization
> exploding......
> is there any suggestion to get ride of from this problem???

I answered this question less than 12 hours ago. Please don't re-post.


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090807/d56bf9ca/attachment.html>

More information about the gromacs.org_gmx-users mailing list