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

Mark Abraham mark.j.abraham at gmail.com
Tue Oct 23 10:13:07 CEST 2018


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
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