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

James Starlight jmsstarlight at gmail.com
Sun Jan 6 13:44:11 CET 2013


I mean absence of exponential factor in the C6 term :)

So to change the vdw radius of the specified atom I should to varry
both c6 and c12 shouldn't it ?


James

2013/1/5 Justin Lemkul <jalemkul at vt.edu>:

>> so it may complicate such correction in that ff.
>>
>
> What's wrong with it?
>
>
> -Justin
>
> --
> ========================================
>
> 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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