On 7/30/13 1:05 PM, niaz poorgholami wrote:
I would like to calculate the PMF between two nanotubes covered
with surfactants. for doing this, one nanotube have to hold fixedly and
another one have to move as rigid entity. for fixed nanotube I used
position restraints, however, I do not know how to make a nanotube a rigid
entity? I would be pleased if someone could help me.
You can probably accomplish this with sufficiently strong angle, dihedral,
and/or distance restraints.
-Justin
--
==================================================
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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