[gmx-users] how can we export protein without hydrogen?

Justin Lemkul jalemkul at vt.edu
Sun Sep 14 21:46:09 CEST 2014



On 9/14/14 3:44 PM, Albert wrote:
> Hello:
>
> I am going to export my protein without hydrogen with trjconv command. However,
> I cannot find suitable selection for this purpose from pop up dialog. Does any
> body have any idea for it?
>

Protein-H.  It is a default group.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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
http://mackerell.umaryland.edu/~jalemkul

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