[gmx-users] Regarding use of harmonic wall model

[Justin Lemkul]

On 4/21/20 8:07 AM, Shashank Ranjan Srivastava wrote:
> Thank you so much Prof. Lemkul for your reply.
> As I don't know what and how to use this pull code, if you have any idea
> regarding what you have suggested will be of great help to me.
> Meanwhile I will read more about it.

General principles here: http://www.mdtutorials.com/gmx/umbrella/index.html

Obviously that's a very different approach from what you're trying to do 
but you can learn the basic syntax there.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
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Virginia Tech Department of Biochemistry
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