[gmx-users] Syntax error - File lig.prm, line 2 Last line read:

Justin Lemkul jalemkul at vt.edu
Fri Mar 11 13:50:59 CET 2016

On 3/11/16 1:38 AM, Nikhil Maroli wrote:
> Problem solved,
> Keeping the ligand topology right after the ff.itp

For posterity, I will point out that this is precisely what is intended by the 

"The force field has to be fully constructed before any molecules can be defined."

on the page that I linked.  I think I will amend that page to be a bit more 
generic.  The error is often encountered with [atomtypes] but any bonded or 
nonbonded directive will trigger the same error.



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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