[gmx-users] Time series of the number of atoms with the volume

Mark Abraham mark.j.abraham at gmail.com
Sat Jul 21 19:56:21 CEST 2018


There's quite a few examples in its documentation, do look there for ideas.
You will need to decide some geometric criterion to define the volume of
the pore.


On Sat, Jul 21, 2018, 16:27 Mijiddorj B <b.mijiddorj at gmail.com> wrote:

> Dear GMX users,
> I would like to make analysis of atom numbers within the certain volume
> such as pore of channel. If you have any experience, please advise me.
> How can I use gmx select for this purpose?
> Best regards,
> Miji
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