[AMBER] Calculate the conduct rate from PMF

From: Meng Wu <wumeng.shanghaitech.edu.cn>
Date: Fri, 7 Dec 2018 02:51:13 +0000

Deal all,

I have used the umbrella sampling method with amber16 to get the free energy profile of a channel protein, now I want to calculate the conduct rate of this channel from the energy barrier, could anybody guide me how to calculate it in amber or other related methods? Thank you in advance!

Best regards,
Meng Wu

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Received on Thu Dec 06 2018 - 19:00:03 PST
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