[gmx-users] g_dist equivalent in Version 5.*

[laura O.]

Hi,

gmx distance  can compute distances of mass center's, right?

Im was the same problem and i use:  gmx distance -n index.ndx -select 'com
of group "A" plus com of group "B"'.

A and B can be numbers or words.

What did you mean "but it calculates pairwise distances in one selection" ?
How is this selection made? You can tell me something else about this
because I have this question too.


Thanks

Em sáb, 26 de jan de 2019 às 05:39, Max Adamyan <max.adamyan at gmail.com>
escreveu:

> Thanks a lot. This does indeed help)
>
> Sincerely
>        Max.
>
> > On Jan 25, 2019, at 22:09, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
> >
> > Hi,
> >
> > Does
> >
> http://manual.gromacs.org/documentation/current/user-guide/cmdline.html#command-changes-between-versions
> > help?
> >
> > Mark
> >
> >> On Fri., 25 Jan. 2019, 10:29 Max Adamyan, <max.adamyan at gmail.com>
> wrote:
> >>
> >> Hi. I know you can compute distances of mass center's of two atom groups
> >> using `g_dist` command. But I cannot find command that does the same in
> >> Gromacs version 5.*
> >> I know `gmx distance`, but it calculates pairwise distances in one
> >> selection.
> >> And `gmx pairdist` which calculates only min or max distances.
> >> None of this is what I want, I cannot find any other distance related
> >> commands.
> >> Is there any?
> >> Thanks.
> >> --
> >> Sincerely,
> >>    Max Adamyan
> >> --
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