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
--
========================================
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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