[gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere?
cemilyigit at arcor.de
Thu Aug 15 14:42:07 CEST 2013
thanks for your help.
What I want to understand is the following:
I have two particles and the interaction diameter should be 5 angstroms.
The \sigma in this formulas
c^6 = 4 \epsilon \sigma^6
c^12 = 4 \epsilon \sigma^12
would be 5, or?
View this message in context: http://gromacs.5086.x6.nabble.com/what-is-sigma-in-gromacs-the-radius-of-a-sphere-or-the-diameter-of-a-sphere-tp5010517p5010521.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
More information about the gromacs.org_gmx-users