AMBER Archive (2009)

Subject: [AMBER] Choice of force field

From: manoj singh (
Date: Sun May 31 2009 - 15:39:13 CDT

Dear Amber Users,
  I am relatively new to Amber and have some doubt.

  I am trying to do FEP calculations to study the effect of mutation on
binding affinity of the ligand. I have parameterized the ligand using
antechamber with GAFF. Which version of amber force field would be best
choice for me. I am more inclined towards ff03 but I am not sure and
therefore looking for some expert advise.

AMBER mailing list