[gmx-users] question

Justin Lemkul 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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