AMBER Archive (2004)

Subject: AMBER: PERT.charge problem in xleap

From: Helios Chen (
Date: Fri Apr 02 2004 - 06:10:54 CST

Dear all, I tyr to imitate the tutorial example "Simple free energy example", but I have no idea why to change the charge on the first perturbed CT to 0.105? Could anybody please tell me how to know the "0.105"? The website address as follows.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to