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

Semen Esilevsky yesint4 at yahoo.com
Thu Jul 8 11:55:41 CEST 2004


Hear what grompp sais if I remove #include lipid.itp
from my .top file:

Fatal error: Atomtype 'LP3' not found!


--- Andreas Kukol <A.Kukol at warwick.ac.uk> wrote:
> It is already included in 3.1.4, otherwise you would
> not get the error message.
> Andreas
> 
> >>> yesint4 at yahoo.com 08/07/2004 10:43:40 >>>
> 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?
> 
> > 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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