[gmx-users] avoid typing input

antonia vyrkou avyrkou at gmail.com
Wed Feb 27 14:41:08 CET 2019


Thank you!

On Wed, 27 Feb 2019, 13:38 Justin Lemkul, <jalemkul at vt.edu> wrote:

>
>
> On 2/27/19 8:16 AM, antonia vyrkou wrote:
> > hello,
> >
> > is there a way to execute an interactive gromacs command  (for example
> gmx
> > rmsf , choosing a group number from an index file) without typing the
> > number but "reading" it from a file or from a while loop?
> > Does that make sense?
> http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
> Lab: 303 Engel Hall
>
> Virginia Tech Department of Biochemistry
> 340 West Campus Dr.
> Blacksburg, VA 24061
>
> jalemkul at vt.edu | (540) 231-3129
> http://www.thelemkullab.com
>
> ==================================================
>
> --
> 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