[gmx-users] COM pulling

[Justin Lemkul]

On 8/16/17 3:40 AM, Naba wrote:
> Dear users,
>
> Please let me know whether it is feasible and relevant or not if I use COM
> pulling for mechanical unfolding of proteins. More specifically, whether I
> can define the two group within the same molecule !!

You can define groups of any atoms, and you can do exactly what you 
propose with the pull code.  People do it all the time.

-Justin

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

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