[gmx-users] About HPO4

[Justin Lemkul]

On 11/20/12 4:03 AM, 闪耀星空 wrote:
> Hi,
>   HPO4 has dihedral or  not??    If it has,which one?
>
>

There likely is a dihedral you need to use (since there are 4 atoms in O-P-O-H), 
but the second answer depends on which force field you are using.  Without 
knowing that, no one can say.

-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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