[gmx-users] GridMatMD and CGMD

Justin A. Lemkul jalemkul at vt.edu
Mon May 30 13:10:31 CEST 2011

Anirban Ghosh wrote:
> Hi ALL,
> I have simulated a CGMD system consisting of multiple copies of a CG 
> protein in a CG lipid bilayer using the MARTINI FF for the CG 
> definitions. Can I use GridMatMD program to calculate the area per lipid 
> and other properties in this CG system? Which parameters do I need to 
> alter in the input file for GridMatMD in order to properly recognize the 
> CG lipids?

CG lipids should work like any other - specify their name in the input file, and 
the atom name that should be used as a reference point.  We have never tested 
GridMAT-MD with a CG membrane, but it should work the same way as an atomistic 
membrane.  Please let me know if you encounter any problems.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list