AMBER Archive (2005)

Subject: AMBER: gaff frcmod file for TI calculation

From: Eric Hu (yhu_2003_at_yahoo.com)
Date: Wed Feb 02 2005 - 17:50:00 CST

Hi, I used antechamber to generate the frcmod file for
a small organic molecule. And it turns out the frcmod
file is empty. I then defined the dummy atom types in
the pert.frcmod file according to the atom types
generated by gaff. Now leap complains about all the
parameters (such as bond, angel and etc), which is
understandable. However is there a way to make the
pert.frcmod file without going to gaff.dat and
redefining all the missing parameters? Thanks.

Eric

                
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