[gmx-users] Simulated Annealing command line

[Justin Lemkul]

On 1/7/20 6:35 PM, Neena Susan Eappen wrote:
> Hi Justin,
>
> Thank you for your answer. I haven't written scripts before, so I was wondering is there a sample script I can see for looping in gromacs.

What you're trying to do is similar to the logic in 
http://www.mdtutorials.com/gmx/membrane_protein/Files/run_inflategro.sh

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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