[gmx-users] Periodic Molecules

[Justin Lemkul]

On 5/29/18 11:50 AM, Lakshman Ji Verma wrote:
> What difference it will make I keep Periodic molecules option True or False?
> I read the manual but couldn’t understand more than keeping it False will
> be faster.

The "periodic-molecules" option is for use with "infinite" systems like 
CNT, surfaces, etc. That is, the topology specifies bonds that always 
span a periodic boundary. This option is distinct from normal PBC.

-Justin

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

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