[gmx-users] HC atomtype

Mark Abraham Mark.Abraham at anu.edu.au
Thu Oct 11 10:53:47 CEST 2007

mahbubeh zarrabi wrote:
> when I'm trying to use the Tielman's lipid.itp I
> always have the following error message:
> Second default directive found in lipid.itp line ...
> [defaults] in lipid.itp are defined after [defaults]
> in ffgmx.itp because ffgmx.itp shuld be included
> before lipid.itp. I wonder if I can just delete
> [defaults] from lipid.itp.
> How to fix this problem?

I would follow Tieleman's example 
http://moose.bio.ucalgary.ca/files/example.top with unmodified versions 
of the .itp files, and then if I ran into problems, consider removing 
the second [defaults]. If that then seemed to work, suggest that to him 
as a note and/or fix.


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