[gmx-users] No pressure coupling in X direction

Sam David samdav800 at gmail.com
Wed Jan 16 22:04:24 CET 2019


Hi
I have no idea about pull code but if you want pressure in a specific
direction you can use anisotropic coupling where it has xx yy zz xy xz yz
in your case xx=0, yy=p zz=p   xy=xz=yz=0
check it online

Best



On Wed, Jan 16, 2019 at 1:50 PM Quyen Vu Van <vuqv.phys at gmail.com> wrote:

> Dear all,
> In pull code, I want to use *pull-coord1-geometry=direction-periodic* and
> Gromacs requires no pressure coupling in the pulling direction, which is
> x-direction in my case.
> How can I just use pressure coupling for y-z direction?
> Best regards,
> Quyen
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