DFT parital charges

From: Riccardo Nifosi <nifosi_at_cmp.sns.it>
Date: Mon 4 Sep 2000 16:47:24 +0200 (METDST)

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
Received on Mon Sep 04 2000 - 07:47:24 PDT
Custom Search