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