[gmx-users] Periodic Molecules
jalemkul at vt.edu
Tue May 29 17:53:04 CEST 2018
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 A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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