AMBER Archive (2004)

Subject: AMBER: gaff "ha" atom type

From: Oliver Hucke (ohucke_at_u.washington.edu)
Date: Wed Apr 21 2004 - 15:38:20 CDT

Dear All,

I am using antechamber as part of amber8 for the preparation of a
protein ligand for my simulations.

Antechamber assigns the type "ha" to a hydrogen at an aliphatic sp2
carbon (type "c2"), which is connected only to other carbons.
Is the type "ha" correct for such a hydrogen?

 From the manuscript on the gaff force field I would expect such a
hydrogen to have the type "hc"?

Thanks very much,

Oliver 

-- 
_______________________________________________________________

Oliver Hucke, Dr.
                               Health Sciences Building - K418C
University of Washington      1959 NE Pacific St.
Dept. of Biochemistry         phone: (206) 685 7046
Box 357742                    fax  : (206) 685 7002
Seattle, WA 98195-7742        email: ohucke_at_u.washington.edu
_______________________________________________________________

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