[gmx-users] Error in system_inflate.gro coordinates does not match

Justin Lemkul jalemkul at vt.edu
Sat Jul 19 16:11:30 CEST 2014

On 7/19/14, 9:56 AM, RINU KHATTRI wrote:
> hello everyone
> i know justin -D is for minim.mdp not for topology i used simply D

That's still wrong.  There should be no "D" or "-D" in the #ifdef statement; 
it's cpp macro syntax.  Please look at the block I provided before:

#include "strong_posre.itp"

Use it exactly.  Copy and paste it.  Invoke it with "define = -DSTRONG_POSRES"



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


More information about the gromacs.org_gmx-users mailing list