AMBER Archive (2006)

Subject: AMBER: mixing GAFF and CHARMM

From: Ravinder Abrol (
Date: Wed Dec 20 2006 - 01:09:08 CST

Hi All,
We are looking at protein-ligand complexes embedded in lipids and I am curious to find out
if someone has experience using GAFF parameters for ligands and CHARMM parameters
for the rest of the system (protein and lipids). Can GAFF (being a generalized FF) be mixed with
CHARMM in this way to carry out MD simulations? Thanks.

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