From: Alaa Abdelrahman <a.abdelrahman.compchem.net>
Date: Tue, 10 Sep 2019 17:51:10 +0200
Creating for all,
Master student at Compchem Lab-Minia university-Egypt.
In part of my master, we parameterize two organic molecules. I was
wondering which protocol used to develop GAFF force filed. I need the main
article of GAFF (Development and testing of a general amber force
field....2005). So, may anyone directs me to the exact procedures to
general force field parameters for ethane molecule as an example? In
details for force constant for bond, angle and dihedral. As well, is there
any one script or code can be automatically used for this task. Any kind of
support will be highly appreciates.
