[gmx-users] pressure simulation along the z-axis

[Justin Lemkul]

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

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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
http://mackerell.umaryland.edu/~jalemkul

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