[gmx-users] 3D pressure profile of a bilayer

Amit Choubey kgp.amit at gmail.com
Wed Sep 7 09:11:09 CEST 2011

On Tue, Sep 6, 2011 at 10:07 PM, Shou-Chuang Yang <shcyang at ucdavis.edu>wrote:

> Dear gmx-users,
> Could anyone help me with the calculation of 3D pressure profile in a
> function of y?
> I used the provided gromacs-4.0.2_localpressure for my calculatioin. It
> calculate
> the 3D pressure profile as a function of z (the default setting of bilayer
> normal
> is z-direction).
> In my case, I have a bilayer which rotate at the first few nano second run
> and remained normal to y-directiona for the rest. How can I obtain a 3D
> pressure analysis
> along the y-direction?
Couldnt you rotate your box so that the bilayer is in z dir ?

> I really appreciated your help!
> Thanks,
> Joanne
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