[gmx-users] No such moleculetype DPPE

Justin Lemkul jalemkul at vt.edu
Tue Sep 1 04:18:32 CEST 2015

On 8/31/15 1:00 PM, Poncho Arvayo Zatarain wrote:
> Hello: i'm working in a simulation for a DPPC/DPPE membrane and when i use
> the instruction grompp -f minim.mdp -c dppc-dppe128.pdb -p topol_dppc.top -o
> em.tp for enrgy minimization, the following error appears: Fatal error: No
> such moleculetype DPPE, so it appears some warnings like: File
> ffnonbonded.itp, line 67: Overriding atomtype NUrea.

Looks like you have lots of formatting or content problems with your force field 
files.  Without a description of what you've actually done to this point, it's 
pointless to guess.



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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