[gmx-users] Keeping cis configuration of a molecule

[Justin Lemkul]

On 2/26/18 7:28 AM, Anjana Jayasinghe wrote:
> Dear All,
> I want to keep the cis configuration of my molecule in MD simulation. How can I do that? Could you please help me?

Likely you need a dihedral restraint. Refer to the manual.

-Justin

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

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