[gmx-users] Use of -nr for order parameters
Justin Lemkul
jalemkul at vt.edu
Thu Mar 9 02:31:20 CET 2017
On 3/8/17 4:46 PM, Wally Davis wrote:
> Hi,
> I'm trying to use the g_order function. I have formated my .ndx file with one group per carbon and provide this file under the -n input option. However, I alway get the error that the -nr file is not found. What is the extra .ndx file I need to provide?
>
Please provide your full command and all relevant screen output, including the
error.
-Justin
--
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
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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