AMBER: 来自pig5678的邮件

From: pig5678 <>
Date: Tue, 10 Jul 2007 14:59:22 +0800 (CST)

 Dear David
 I am using the thermodynamic integration method to calculate free energy, but I do not know how to turn off the van der waals interaction, and I do not how to introduce the "dummy" atoms.I would be most happy if you can tell me, I am looking forward to hearing from you. thank you very much.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jul 11 2007 - 06:07:40 PDT
Custom Search