[gmx-users] pressure simulation along the z-axis
jalemkul at vt.edu
Mon Feb 2 22:49:24 CET 2015
On 2/2/15 4:41 PM, felipe zapata wrote:
> Hi all,
> I have a box containing several strands of some biopolymers and I want to
> do a simulation of this box fixing the X and Y direction, while applying
> pressure only along the Z axis.
> Can anybody please tell me how to achieve this?
Use semiisotropic pressure coupling and set the x-y compressibility to zero.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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