AMBER Archive (2002)

Subject: Fw: Fw: Charges derivation question!

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Thu Dec 12 2002 - 03:55:17 CST


> And if you use polarizabilities - use b3lyp-dft/cc_pvtz basis set
> and our special type of charge refitting.
> All the best
> Piotr