[gmx-users] about problem running script for Gibbs free energy simulation

[lazaro monteserin]

Ah let me fix that and try again. I will let you know how it goes. Thank
you very much for all the help

On Thu, Apr 16, 2020 at 4:23 PM Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 4/16/20 3:20 PM, lazaro monteserin wrote:
> > But how do I declare this in the script?
> >
> > I have try for example:
> >
> > FREE_ENERGY="/home/Lazaro/tutorial_gromacs" and then
> > MPD="/$FREE_ENERGY/mpd"
> >
> > Using the " "
> >
> > But stills it doesn't work. I have all my .mdp files stored in a
> directory
> > called "mdp" inside the directory "tutorial_gromacs".
> >
> > Am I making  a syntax mistake here?
>
> No, but you've got a typo of "MPD" and "mpd" in place of "MDP" and "mdp"
> that is probably your issue. And you don't need the leading slash before
> $FREE_ENERGY in the definition of $MDP.
>
> -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.
>