AMBER Archive (2000)

Subject: DFT parital charges

From: Riccardo Nifosi (nifosi_at_cmp.sns.it)
Date: Mon Sep 04 2000 - 09:47:24 CDT

Dear amber users,

does anybody know were I could find the RESP partial charges for water,
calculated using Density Functional Theory? I would like to compare them
with my results.... There is a reference in the resp manual which may be
useful, but it is not complete.

Thanks,
Riccardo