[gmx-users] Re: density profile

[Dr. Vitaly Chaban]

Hi Elisabeth -

The only explanation is that you actually DID NOT extend the box in Z
direction. Look at the last line of confout.gro.

g_density -d Z gives you a [local] density versus Z coordinate.


Dr. Vitaly Chaban




On Mon, Apr 1, 2013 at 5:33 PM, Elisabeth <katesedate at gmail.com> wrote:

> Hi Vitaly,
>
> I did NVT simulations and tried to obtain density profile at interface
> along Z using g_density -f .trr -s .tpr -d Z but I what I see is the
> density profile in the box not the interface. Box size is 3 nm and Before
> NVT runsI extended Z to 6 nm. Please see the attached profile. Thanks!
>