[gmx-users] Re: Simulation of 2D lattice model
jmsstarlight at gmail.com
Thu Jan 17 20:05:29 CET 2013
so its exacly what I mean! I dont find any relationship between LJ
equation in any form and vdw radius of atom. But is it possible to
modify vdw radius exactly ? E.g I have united atom as a node which
vdw must be > 1.5 A. I want to decrease it to 1 A. What should I do
for it ?
2013/1/17 Justin Lemkul <jalemkul at vt.edu>:
> You're not changing the van der Waals radius by doing that, you're changing
> the balance of interactions between the electron clouds of the particles in
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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