[gmx-users] SASA Problem
Tom
dnaafm at gmail.com
Tue Nov 17 17:27:40 CET 2015
Dear All,
I am calculating SASA of a grahene surface which is PBC bonded with image
atoms.
My system has a graphene soaked with water in one phase.
My surface is around 5*10 nm^2.
Why SASA give the value close to single face area?
I adjusted ndots until SASA converged to 72 nm.
I copied the VDW radii in the current directory and made sure that it has
the parameter for
graphene atoms.
Thanks for the help!
Tom
More information about the gromacs.org_gmx-users
mailing list