[gmx-users] Quartic angle potential - how to use?

Justin Lemkul jalemkul at vt.edu
Wed Jun 5 18:55:31 CEST 2013



On 6/5/13 8:40 AM, Steven Neumann wrote:
> Dear Gmx Users,
>
> I wish to use quartic angle potential and specify all constants. I know it
> is a function 6 of [ angles ] but do not know how to place my polynomial
> constants?
>

As table 5.5 in the manual indicates, list the equilibrium angle followed by all 
of the constants, in order.

-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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