[gmx-users] error

[Bert de Groot]

Dinesh Pinisetty wrote:
> 
> 
> 
> Hello all,
>      This is my second question please someone reply me about the
> information on atom types.
> Could anyone explain me what this error mean:
> FATAL ERROR: Found a second defaults directive, file "lipid.itp", line 9.
>    Please explain me this what this error mean what should be done to avoid
> this error.

Hi Dinesh,

If you use the following set of parameters:
http://www.gromacs.org/topologies/uploaded_force_fields/ffgmx_lipids.tar.gz

then you don't need lipid.itp anymore (the lipid parameters are integrated in the ff*itp files)
and hence you get rid of the error.

--

Bert

____________________________________________________________________________
Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
37077 Goettingen, Germany

tel: +49-551-2012308, fax: +49-551-2012302

email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/073
____________________________________________________________________________