[gmx-users] Invalid directive dihherals with H

[David]

On Fri, 2005-05-20 at 16:55 +0100, Farid Sa'Adedin wrote:
> 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.
the send the whole section!

> 
> >
> > >
> > > 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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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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