[gmx-users] gmx distance
devapriyachem at gmail.com
Sun Oct 18 23:52:57 CEST 2015
I think I figured it out.
It should be selected as "name K plus com of group XX". Running the command
with -oall confirms that it calculates distance for each atom with name K
and com of other group.
I would still appreciate any comment, if this is a faulty solution.
On Sun, Oct 18, 2015 at 4:42 PM, Deva Priya <devapriyachem at gmail.com> wrote:
> I am trying to set up a calculation to measure distance between the
> following groups.
> group A = center of mass of a selection of atoms
> group B = atoms of another group (all K atoms)
> Is it possible to specify the command such that the distance output is the
> average distance between group A and each atom of group B. So, the answer
> could be reported as average distance between all K atoms and center of
> mass of group B.
> Any advice is greatly appreciated.
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