PME group decomposition

From: Andrew Petersen <andrew_at_jmr2.xtal.pitt.edu>
Date: Fri 10 Nov 2000 12:46:19 -0500

Amber users

I'm trying to do group energy decomposition but ANAL uses a simple cut
off instead of Ewald for the electrostatics.

1) Does anyone have a version of ANAL that includes PME calculation for
the electrostatics?
2) Does anyone have a version of SANDER that includes group analysis?
2) Can anyone suggest a workaround?

Andrew Petersen
Received on Fri Nov 10 2000 - 09:46:19 PST