[gmx-users] Re: Simulation of 2D lattice model
jalemkul at vt.edu
Thu Jan 17 20:07:28 CET 2013
On 1/17/13 2:05 PM, James Starlight wrote:
> 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 ?
There is no term in any potential energy equation (at least, in the force fields
used by Gromacs) for an explicitly defined van der Waals radius.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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