[gmx-users] how to remove some molecules

Justin Lemkul jalemkul at vt.edu
Tue Jul 23 12:59:35 CEST 2013

On 7/23/13 5:56 AM, niaz poorgholami wrote:
> Thank you Sir for your reply.
> but I do not know how to recognize the non-adsorbed molecules
> in a gro file? Is there any way to recognize them in a gro file( I have
> seen the in VMD)?

Label them by name in VMD.



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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