[gmx-users] Question Re. KALP-15 in DPPC tutorial

Justin Lemkul jalemkul at vt.edu
Sat Jan 25 04:48:11 CET 2014

On 1/24/14, 10:44 PM, jhosamelly wrote:
> ""
> "Non-bonded interactions involving atom type HW are also present; since
> these
> are all zero you can delete these lines as well, or otherwise rename HW as H
> to
> be consistent with the GROMOS96 53A6 naming convention. If you do not rename
> these lines or remove them, grompp will later fail with a fatal error."
> -Justin
> ""
> Yes I deleted that already. I got that fatal error.

Clearly something is left over that you didn't properly get rid of.  grep is 
your friend here.



Justin A. Lemkul, Ph.D.
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


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