[gmx-users] Defaults in lipid.itp - please help!

Berk Hess gmx3 at hotmail.com
Thu Jul 8 14:17:09 CEST 2004


>
>There is 'defaults' section in ffgmx.itp (in that version I use). Maybe
>someone with more experiences can advice both us, if it is enough (in what 
>I
>hope ;) ) And you can download modified FF from:
>http://www.gromacs.org/topologies/force_fields.php (3rd FF - lipid params 
>for
>use with ffgmx) or directly from
>http://www.gromacs.org/topologies/uploaded_force_fields/ffgmx_lipids.tar.gz

Gromacs versions older than 3.1.4 allowed for more than one defaults 
section,
but then often the resulting parameter set would be different from what
the author had intended.

You should download the modified FF as suggested above.
If you do not have write permission in the top directory
you can put it in the same dir as your topology file.

Berk.

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