[AMBER] MMGBSA using charmm36 force field-- positive value

From: 周丽萍 <s19-zhouliping.simm.ac.cn>
Date: Mon, 17 May 2021 09:21:39 +0800 (GMT+08:00)

Hello, I use the charmm36 force filed to do the simulation,and use the MMGBSA to calculate the binding free energy for PPI.However, the result is a huge positive value as the attachment.

What is the problem with it?

Thanks for your reply.

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Received on Sun May 16 2021 - 18:30:01 PDT