[gmx-users] gmx distance

[Deva Priya]

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.

Thanks,


On Sun, Oct 18, 2015 at 4:42 PM, Deva Priya <devapriyachem at gmail.com> wrote:

> Hello,
>
> 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.
>
> Thanks,
> Deva
>
>