[gmx-users] assigning two ligand in gromacs with amber99sb force filed
jalemkul at vt.edu
Mon Aug 3 19:31:52 CEST 2015
On 8/3/15 8:50 AM, SAKO MIRZAIE wrote:
> Dear all,
> I just trying to add two itp files including "NADP.itp" and
> "ligand.itp" in my topology file by add #include "NADP.itp"
> #include "ligand.itp" after force filed amber99sb. but the following
> error appears:
> ' [ atomtypes ]'
> invalid order for directive atomtypes
> when I delete the #include "ligand.itp" from topology file. it works
> without any error. how can I assign two groups with simple command
> "#include" in topology file.
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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