[AMBER] How to obtain potential energy using mdcrd trajectories in AMBER12

From: Wang Moye <wangmoye13.mails.ucas.ac.cn>
Date: Mon, 30 Mar 2015 20:39:03 +0800 (GMT+08:00)

Hello everyone!

I have a REMD process using AMBER12. There are 26 replicas in my system. As the tutorial said, a typical use of REMD is to obtain thermodynamic ensembles at temperatures of interest (e.g. 300 K). So I extracted the data for each temperature . Now I want to get the potential energy for each temperatue , what should I do next ? I have 26 mdcrd trajectories and the process_mdout.perl can analyse the mdout files only.
If I want to get the total energy and potential energy through mdcrd trajectories , which tool should I use ?

Thank you very much!

Wang Moye
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Received on Mon Mar 30 2015 - 06:01:22 PDT
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