[gmx-users] ndx file with frames

[Dan Gil]

Hi,

I have used gmx select to create groups of atoms for each time frame - the
indices of the atoms in each group changed with each step. Then I used this
output in other gromacs utilities such as gmx rdf.

I haven't used plumed, but from your question I believe gmx select might be
a good start for you.

Dan

On Mon, Jul 30, 2018 at 9:29 AM, Stefano Guglielmo <
stefano.guglielmo at unito.it> wrote:

> Dear all,
>
> I would like to generate an index file containing frame numbers selected
> according to a parameter contained in plumed output; I could select the
> desired frames from the output using any scripting/text manipulating tool,
> but I was wondering which should be the suitable format to be read by,
> let's say, trjconv.
> Does anyone have any suggestions?
>
> Thanks in advance
> Stefano
>
> --
> Stefano GUGLIELMO PhD
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707178
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>