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

[Justin Lemkul]

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

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Justin A. Lemkul, Ph.D.
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