mx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> On Behalf Of Francisco
> Lobo Cabrera
> Sent: Tuesday, October 23, 2018 10:24 AM
> To: gmx-us...@gromacs.org
> Subject: [gmx-users] Specifying more than one index group via the command
> line
&
Thank you, that worked.
Francisco
On Tue, Oct 23, 2018 at 10:14 AM Mark Abraham
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.lo...@gmail.com> wrote:
>
> > Hello:
> >
> >
you.
Peter
-Original Message-
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
On Behalf Of Francisco Lobo
Cabrera
Sent: Tuesday, October 23, 2018 10:24 AM
To: gmx-us...@gromacs.org
Subject: [gmx-users] Specifying more than one index group via the command line
Hello
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.lo...@gmail.com> wrote:
> Hello:
>
> Is it possible to specify several index groups through the command line?
>
> For example, to compute hydrogen
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