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

Milan Melichercik melicher at cray.dbp.fmph.uniba.sk
Thu Jul 8 11:56:19 CEST 2004


On Št 8. Júl 2004 11:43, Semen Esilevsky wrote:
> Unfortunately we have an old version - 3.1.4 and I'm
> not allowed to change the force field files. Is it
> another way to do it?

There is nothing to do with version of Gromacs. If you look into your .top 
file, there you will find line "#include lipid.itp" - simply delete this line 
(or make it as comment), cause all information which is imported by this 
command is allready included in forcefield itself.

Milan

>
> > The parameters of lipid.itp are now included in
> > ffgmx.itp. Simply delete #include lipid.itp from the
> > topology file of your system.
> >
> > Andreas
>
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