[gmx-users] Re: Simulation of 2D lattice model

Bogdan Costescu bcostescu at gmail.com
Thu Jan 17 14:04:36 CET 2013

On Thu, Jan 17, 2013 at 1:51 PM, James Starlight <jmsstarlight at gmail.com> wrote:
> So  if I have force field with the C6/C12 terms (instead of
> sigma\epsilon) I need to express sigma (which correspond to the Rmin
> in LJ equation) as the (C12/C6)^0.5. Than if I want to increase sigma
> ( and consequently to increase vdw radius of my atom) I  must to
> increase c12 or decreace C6 terms.  Does it correct in general ?

I think that I have already answered the question - please re-read my
previous messages in the thread.


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