[AMBER] Regarding output file in REMD

From: Rajarshi Roy <phd1701171011.iiti.ac.in>
Date: Tue, 4 Sep 2018 10:17:10 +0530

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

Thank you in advance.
*with regards*
*Rajarshi Roy*
*PhD Research Scholar*
*Biosciences and Biomedical Engineering*
*Indian Institute of Technology, Indore*

AMBER mailing list

(image/png attachment: Screenshot_from_2018-09-04_10-16-22.png)

(image/png attachment: Screenshot_from_2018-09-04_10-16-12.png)

Received on Mon Sep 03 2018 - 22:00:03 PDT
Custom Search