[gmx-users] Question regarding coarse-graining and all-atom structure

Graham J.A. J.A.Graham at soton.ac.uk
Tue Feb 21 11:29:09 CET 2017

The readme on the Github page has a link to documentation including a
short tutorial (http://pycgtool.readthedocs.io/en/master/tutorial.html)
, but that doesn't show how to do exactly what you want.  I'll email
you off list if that's okay and I can add some more information to the

If you just want a MARTINI DPPC membrane and don't need it to be an
exact mapping of the all-atom one though, it might be simpler to go
with Justin's suggestion and generate a new one from scratch with


On Tue, 2017-02-21 at 00:55 +0330, ali.khourshaei71 at student.sharif.edu
> Dear Graham, 
> I really appreciate your response. To be honest, I had found your
> tools
> before but I failed to use it. So is there any useful source such as
> any
> tutorial or example I can use to understand how to work with your
> script? Also since I'm working with DPPC lipid bilayer and it's very
> common, do you have any document related to this lipid in order to
> share
> here? 
> Sincerely, 
> Ali

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