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

[Mijiddorj B]

Dear Mark,
Thank you bery much for your reply. I do not know which tool is useful for
the counting a time series of atom number. I think that gmx select is a
possible one. However, I could not specify water molecules.
If you have any experience of gmx select ... , please advise me on
specifing water molecules using z coordinates.

Best regards,
Miji

>
>
> Message: 4
> Date: Sat, 21 Jul 2018 19:56:07 +0200
> From: Mark Abraham <mark.j.abraham at gmail.com>
> To: gmx-users at gromacs.org
> Cc: "gromacs.org_gmx-users at maillist.sys.kth.se"
>         <gromacs.org_gmx-users at maillist.sys.kth.se>
> Subject: Re: [gmx-users] Time series of the number of atoms with the
>         volume
> Message-ID:
>         <CAMNuMAR-7B696e0E5xqJpruErB4_OMz2u=
> EGri+aLoTPMf-oog at mail.gmail.com>
> Content-Type: text/plain; charset="UTF-8"
>
> Hi,
>
> 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.
>
> Mark
>
> 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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> End of gromacs.org_gmx-users Digest, Vol 171, Issue 83
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