AMBER: reorientation in R.E.D

From: Mikyung Seo <>
Date: Wed, 5 May 2004 10:38:01 -0600

Hello Amber users,
Thanks for your last responses.

I understand that molecular reorientation affects MEP and the RESP charges.

There are 6 different orientations for N-Methyl-Acetamide example in
R.E.D(1.0) tutorial.
How can I get this reorientation information (6 different number sets)?
How can I know which molecule needs reorientation or not?


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed May 05 2004 - 17:53:00 PDT
Custom Search