AMBER: ESP calculations.

From: a a <>
Date: Tue, 30 May 2006 18:10:41 +0800

Dear Sir/Madam,

I am trying to get the atomic charges for a inorganic complex with R.E.D.,
but I only got a window version of gaussian03. however, R.E.D only
compatible with Unix/linux OS. It seems to me that I cannot use R.E.D. to
get the atomic charges directly.

Is it possible for me to run ESP calculations in window with gaussian to get
the gaussian output file, and then transfer the output file to linux
workstations to run the espgen directly?

Best regards,


Get 10Mb extra storage for MSN Hotmail. Subscribe Now!

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed May 31 2006 - 00:12:01 PDT
Custom Search