AMBER: 来自pig5678的邮件

From: pig5678 <pig5678.163.com>
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.
                                                                                                 liliduan

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Received on Wed Jul 11 2007 - 06:07:40 PDT
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