[gmx-users] Invalid directive dihherals with H
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
> > I am trying to run a simulation on a small membrane active drug. I get an
> > 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
> > Yours
> > Farid Sa'adedin
> > Department of Veterinary Biomedical Sciences
> > Edinburgh University
> > Summerhall
> > _______________________________________________
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