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.
Mark
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