[gmx-users] topolbuild error

[Justin Lemkul]

On 5/4/14, 3:14 PM, marzieh dehghan wrote:
> Hi
>
> 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

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

==================================================