[gmx-users] About HPO4

Justin Lemkul jalemkul at vt.edu
Tue Nov 20 13:30:03 CET 2012

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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