[gmx-users] Specifying more than one index group via the command line

Francisco Lobo Cabrera francisco.lobo6 at gmail.com
Tue Oct 23 10:33:49 CEST 2018


Thank you, that worked.

Francisco

On Tue, Oct 23, 2018 at 10:14 AM Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> See http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
>
> Mark
>
> On Tue, Oct 23, 2018, 09:28 Francisco Lobo Cabrera <
> francisco.lobo6 at gmail.com> wrote:
>
> > Hello:
> >
> > Is it possible to specify several index groups through the command line?
> >
> > For example, to compute hydrogen bonds, hbond needs two index groups.
> This
> > can be done through the interactive prompt, but I need to submit this
> > instruction wtih a script. I have searched around but have not found
> > anything.
> >
> > Thank you for your attention.
> >
> > Francisco
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list