[gmx-users] Invalid directive dihherals with H
spoel at xray.bmc.uu.se
Fri May 20 17:25:32 CEST 2005
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
> Invalid directive dihedrals with H at line xxx.
please show exact error message and the offending bit of your file.
> 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.
> Farid Sa'adedin
> Department of Veterinary Biomedical Sciences
> Edinburgh University
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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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