Dear amber users and developers,
I am trying to do a temperature replica exchange of a small carbohydrate.
However, in the mdout file, nothing is written about the energy difference
between replicas, the Metropolis probability and the random number etc.
where the exchange is successful. On the contrary, rem.log file is showing
successful exchange. I attached the screenshot of both the files below.
Can anyone suggest why am I not getting the information of exchange in out
file?
Thank you in advance.
--
*with regards*
*Rajarshi Roy*
*PhD Research Scholar*
*Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*
*India*
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Received on Mon Sep 03 2018 - 22:00:03 PDT