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

[Justin Lemkul]

On 1/17/13 2:05 PM, James Starlight wrote:
> Justin,
>
> 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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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