[gmx-users] Potential energy problem

[Mark Abraham]

On 14/09/2011 5:29 PM, madhumita das wrote:
> Hi Gromacs users,
>
> I am doing the protein lipid system packing step and thus shrinking 
> and minimizing the system alternately but after first minimization 
> rest of all minimization steps show E pot=nan and no minimization step 
> occurs in the em.log file. How to get rid of this problem? Please help.

It is likely that your system is 
http://www.gromacs.org/Documentation/Terminology/Blowing_Up

Mark