[gmx-users] membrane simulations

Justin Lemkul jalemkul at vt.edu
Wed Jul 24 13:13:25 CEST 2013

On 7/24/13 2:55 AM, Sathish Kumar wrote:
> I am doing simulation of metal clusters with membranes by position restrain
> (with f=1000) the membrane. In this simulation the structure of metal
> cluster is collapsed after entering into membrane. I want to preserves its
> structure with out doing position restrain the metal cluster because it has
> to move. Can you please suggest me how can I solve this problem.

Geometry is a function of the topology.  Setting correct parameters for whatever 
the desired or expected geometry is should alleviate the issue.



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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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