it must be some example of mapping lipids on the website: cgmartini.nl
On Aug 30, 2011, at 3:55 AM, Michael Daily wrote:
Hi all,
I am trying to reverse-map some martini lipids to united atom. In
order to do this, I'd prefer to have an EXACT definition of the aa-
to-cg mapping. I cannot find this, only an imprecise graphic, in
the MARTINI paper; the martini.itp file doesn't appear to list which
heavy atoms are represented by each CG bead either. For example,
I'm looking for something like:
'NC3' : ['C1', 'C2', 'C3', 'N4', 'C5', 'C6'],
'PO4' : ['O7', 'P8', 'O9', 'O10', 'O11','C12'],
'GL1' : ['C13', 'O14', 'C15', 'O16'],
'GL2' : ['C32', 'O33', 'C34', 'O35'],
etc.
For some atoms it's obvious which MARTINI groups they belong in, but
others on the borderline are not obvious. For example, does C12
belong in PO4 or GL1?
Anybody have a master list like this?
Thanks,
Mike
--
====================================
Michael D. Daily
Postdoctoral research associate
Pacific Northwest National Lab (PNNL)
509-375-4581
(formerly Qiang Cui group, University of Wisconsin-Madison)
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