[gmx-users] Re: what is sigma in gromacs? the radius of a sphere or the diameter of a sphere?
grita
cemilyigit at arcor.de
Thu Aug 15 14:42:07 CEST 2013
Hi Justin,
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?
Best, grita
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