[gmx-users] can dynamic selection be used with gmx rdf?

Mark Abraham mark.j.abraham at gmail.com
Thu Feb 28 00:27:23 CET 2019


Hi,

One way to check that is to consult the online documentation...
http://manual.gromacs.org/documentation/current/onlinehelp/gmx-rdf.html shows
options taking dynamic selections!

Mark

On Wed, 27 Feb 2019 at 15:08 Cardenas, Alfredo E <alfredo at ices.utexas.edu>
wrote:

> Hello all,
> I would like to calculate the rdf between a set of oxygen atoms in a lipid
> bilayer to water. But I would like to include in this calculation only a
> subset of these oxygen atoms that come closer (< 0.3 nm) to Ca ions. I
> wonder if such a dynamic selection is possible combined with the rdf tool.
> Thanks
> Alfredo Cardenas
>
>
> --
> 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.
>


More information about the gromacs.org_gmx-users mailing list