[gmx-users] topolbuild error
jalemkul at vt.edu
Sun May 4 23:47:55 CEST 2014
On 5/4/14, 3:14 PM, marzieh dehghan wrote:
> after making topology file by using topolbuild, we used the following
> command in the gromacs:
> grompp -f em.mdp -c test_solv.gro -p test.top -o ions.tpr
> we confronted the following error:
> topology include file "ffoplsaanb.itp" not found
> would like to know how can I solve this problem?
Such nomenclature went away with the release of Gromacs 4.5, in which the force
field files were reorganized and renamed. Adapt the topology to the new
organization, i.e. "#include oplsaa.ff/forcefield.itp"
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
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