[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 14:28:56 CEST 2013

Hi Justin,

Wikipedia says: "sigma is the finite distance at which the inter-particle
potential is zero"

But if I want to simulate particles with a certain diameter, where can I set
the diameter in Gromcas?.
For example, a sphere with a diameter of 5 angstroms, would then sigma 5


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