jalemkul at vt.edu
Sun May 17 15:14:17 CEST 2015
On 5/16/15 11:49 PM, Andrew Bostick wrote:
> Dear Tsjerk
> I used pdb2gmx -f be_near.pdb -ignh -merge
The error message from before said you were using version 4.5.3; the -merge
option wasn't available in that version. Upgrade to something that's not
ancient (preferably the latest version, 5.0.5) and it will work.
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
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