Subject: nwchem

From: <[email-masked]>
Date: Wed, 16 Apr 2003 09:34:50 -0300 (BRT)

Dear CCLers,

I need results about charges for unit atoms. In the "nwchem" there is the
"define" function. How I can use it? I didn´t undertand the manual.

for example:????

c x y z
h x y z
h x y z
h x y z

define 1 1 2 3 4 (i.e, group 1 with the atoms 1, 2, 3 and 4)???????

Thanks,

Vivianni.