[gmx-users] grommp warning
jalemkul at vt.edu
Mon Aug 13 22:00:55 CEST 2012
On 8/13/12 3:47 PM, Shima Arasteh wrote:
> OK, thanks.
> But please let me know something:
> Is the "pressure coupling with absolute position restraints" is an option to fix a volume significantly? If yes, then It's me to think about keeping fix the volume of my system or not.
You can't have constant pressure and constant volume. If you don't set
refcoord_scaling appropriately, you will have artifacts and potential instabilities.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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