[gmx-users] g_lie problem

Mark Abraham Mark.Abraham at anu.edu.au
Tue Oct 2 06:32:52 CEST 2007

Blaise Mathias-Costa wrote:
> hello all,
> In my ligand enzyme simulation, I have given *energygrps: protein non 
> protein.  *The reason is that when I gave energygrps* *give as : Protein 
> DRG SOL CL, the mdrun stopped at 560ps saying that the system is 
> physically unrealistic!

The identity of energy groups merely change the accounting and 
reporting, not the calculation. Whatever caused your problem is 
something else.


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