[gmx-users] Invalid directive dihherals with H

Farid Sa'Adedin fsaadedi at staffmail.ed.ac.uk
Fri May 20 17:55:49 CEST 2005


Updated Invalid directive dihedrals with H

> On Fri, 2005-05-20 at 15:59 +0100, Farid Sa'Adedin wrote:
> >
> > Hello fellow GROMACS users,
> >
> > I am new to using GROMACS and I have encountered a problem on the grompp
> stage.
> > I am trying to run a simulation on a small membrane active drug.  I get an
> error
> > message:
> >
> > *Invalid directive dihedrals with H at line 217.
     29    14    13    12    3 offending section of my file. But when deleted
the problem moves to the earlier line.

>
> >
> > This particular line was at the dihedral section of my itp file.
> >
> > I have tried deleting the particular line, but the problem still persists
> at an
> > earlier line.
> >
> > Any ideas of how I can resolve that particular issue, I would be most
> grateful.
> >
> > Yours
> >
> > Farid Sa'adedin
> > Department of Veterinary Biomedical Sciences
> > Edinburgh University
> > Summerhall
> > _______________________________________________



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