[gmx-users] CG-MD to study the conformational changes of proteins...

Quyen V. Vu vuqv.phys at gmail.com
Mon Dec 26 17:23:07 CET 2016

Nikhil say:

I would like to study the conformational study of proteins (Amyloid beta)
in presence of lipid bilayers and other molecules. Can anyone tell me the
possibility of Coarse-grained molecular dynamics for this study, since
all-atom MD need more time and my system contains more atoms, so I'm
thinking to go for CGMD.  in CG-MD can we do the same analysis as in
All-atom MD.?

You need to find a force field that support for protein coarse-grain model

such as Martini: http://cgmartini.nl/

to save simulation time you can you CG model or hybrid model( result
better than CG model because a important region

is treated as standard MD, less important region is use CG model

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