[gmx-users] Regarding masses in Martini force field
George Khelashvili
gek2009 at med.cornell.edu
Fri Nov 12 03:35:36 CET 2010
Dear users,
I am relatively new to Martini force fields and the fact that masses of
all the coarse grained beads are set to a same value (72amu) somewhat
bothers me. I was wondering what influence may this have on the process
of spontaneous lipid aggregation into different phases? I read that it
will generally influence the kinetics of the process, but how about the
actual final outcome? Should I expect that the correct phase of
lipid/water mixture will be formed in the appropriate region of the
phase space using default parameters? Or some tuning of the parameters
is still needed?
I would appreciate your comments on this.
Thank you,
George
--
George Khelashvili, Ph.D.
Department of Physiology and Biophysics
Weill Medical College of Cornell University
1300 York Avenue, Room LC501
New York, NY, 10065, USA
gek2009 at med.cornell.edu
Phone: 1-212-746-6539
Fax: 1-212-746-6226
More information about the gromacs.org_gmx-users
mailing list