[AMBER] Small molecules paramters

From: Athena N <athena.nas01.gmail.com>
Date: Thu, 28 May 2020 18:17:24 +0530

Hi all,

I want to know if it advisable to use any other force fields than gaff for
small molecules like some indole and pyridine systems.? If we generate some
parameters using fftk (force field tool kit), could we use those and do the
simulation in AMBER?

Thank you all
AMBER mailing list
Received on Thu May 28 2020 - 06:00:03 PDT
Custom Search