[gmx-users] How to restrain small molecules in a region where the small molecules can move freely?

[Justin Lemkul]

On 8/26/19 5:41 AM, wtzou wrote:
> Dear all,
> I want to restrain some water in a big cluster where the water can move freely in the cluster but they cannot move out of the cluster. How can I do to implement the restrain?

Check the manual for flat-bottom restraints.

-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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