On 11/17/13 8:48 AM, Tom wrote:
Dear All,

Can gromacs pull both sides (end) of a body way?
for example pulling two end of a cylinder unitl it breaks.

I knew Gromacs can pull two bodies (A and B) objects away.

Can someone inform about this functionality of pulling (both
sides/end of a same body)?

You can specify multiple pull groups (pull_group[12]) and no reference group (pull_group0), but I have no idea if that will work. Otherwise, you could specify pull_group0 as the COM of the cylinder, and pull_group[12] as the ends.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalem...@outerbanks.umaryland.edu | (410) 706-7441

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