[gmx-users] protein falls apart in energy minimization

Pawan Kumar 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
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