[AMBER] water-induced force on substrate along time

From: Meng Wu <wumeng.shanghaitech.edu.cn>
Date: Wed, 5 Dec 2018 12:27:45 +0000

Deal all,

I want to calculate the conduct rate of a channel protein using the energy barrier from PMF, while I would need to calculate the frition term of water to my substrate (total force induced by water along time). Could anybody guide me how to calculate it in amber or are there some packages recommended for this?

All the best,
Victor
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Received on Wed Dec 05 2018 - 04:30:02 PST