[gmx-users] protein falls apart in energy minimization
pawan.chinari at gmail.com
Tue May 12 06:46:51 CEST 2009
Defining a specific box size with -d option in editconf will help to
overcome this problem...
On Tue, May 12, 2009 at 8:05 AM, Zhong Zheng <zhozheng at gmail.com> wrote:
> hi all
> I am running Gromacs on a protein consisted of three chains. But no matter
> how I tried, the protein always falls into three parts (corresponding to
> each chain) after a simple 2000 steps energy minimization. Can anyone help
> me please? Thanks.
> Zhong Zheng
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use thewww interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users