[AMBER] Defining new atoms in AMBER

From: Kolattukudy P. Santo <santotheophys.gmail.com>
Date: Thu, 2 Jul 2020 11:47:00 -0400

Hello
I am a trying to model a compound with new atomtypes. I have prepared the
frcmod file and a lib file using Xleap. But with new atom types it is
giving me several errors.
Is it really possible to define new atom types and create lib files using
xleap?

Thanks
Santo

-- 
Best,
KP Santo
--------------------------------------------------------------
Dr. Kolattukudy P.  Santo
Post doctoral Associate
Department of Chemical and Biochemical Engineering
Rutgers, The State University of New Jersey
New Brunswick, New jersey
USA
---------------------------------------------------------
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Received on Thu Jul 02 2020 - 09:00:04 PDT