[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


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!


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

> 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
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