[gmx-users] grompp , lipid parameters, error
David
spoel at xray.bmc.uu.se
Thu Dec 5 19:24:01 CET 2002
On Thu, 2002-12-05 at 20:04, Senthil Kandasamy wrote:
> yes, I defined the atomtypes in the ffgmx.atp file. However, their
> presence or absence in the ffgmx.atp does not seem to matter. It gives
> the same error.
>
The error you get means that LNL is not in the [atomtypes] section of
the topology. You may also get warnings for bonds and angles and
dihedrals with zero parameters.
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--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 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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