[gmx-users] Re: Unsteady Density

Vitaly Chaban vvchaban at gmail.com
Mon May 2 22:02:50 CEST 2011

> The last time I had performed this with nstlist=5 and for the
> actual MD run, I had a density of approximately 0.781 g/cm3 compared
> to literature value of 0.791 g/cm3 at 298K.

So, what is the problem? It is satisfactory coincidence.

Dr. Vitaly V. Chaban, Department of Chemistry
University of Rochester, Rochester, New York 14627-0216
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