[AMBER] How to analyze REMD results

From: Wang Moye <wangmoye13.mails.ucas.ac.cn>
Date: Tue, 16 Dec 2014 14:42:04 +0800 (GMT+08:00)

Hello everyone,
I am a new Amber user.I have finished the REMD simulaitons using Amber12 version. The jobs was frequently restarted for long simulations. Now I want to obtain the potential energy surface of the protein. How can I deal with the several stages of data? Which tool should I use?
By the way, I have read the Amber tutorials and I could extract temperature trajectories .But I didn't know how to analyze them for obtaining the whole potential energy surface. Thank you!

Wang moye
University of Chinese Academy of Sciences





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Received on Mon Dec 15 2014 - 23:00:02 PST
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