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

[Max Adamyan]

Hi, I did not know that you can explicitly specify Center of Masses using
`-select` option. I was giving to input my whole selections (after command
line prompt), and it was calculating something else, and I'm not sure what )

On Sat, Jan 26, 2019 at 9:27 PM laura O. <laura.o.vendrame at gmail.com> wrote:

> 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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-- 
Sincerely,
    Max Adamyan