-----原始邮件-----
发件人: "Wang Moye" <wangmoye13.mails.ucas.ac.cn>
发送时间: 2014年12月16日 星期二
收件人: amber <amber.ambermd.org>
抄送:
主题: How to analyze REMD results
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
--
王漠野
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Received on Sun Dec 21 2014 - 16:30:02 PST
