[AMBER] Temperature raises abnormally during accelerated MD

From: O Z <roza2006.hotmail.fr>
Date: Mon, 4 Nov 2013 08:41:07 +0100

Dear Amber users,

I have been running Accelerated MD on my system. I set up my aMD parameters as explained on the Amber manual:

from 10ns MD results (trajectory from 50 to 60 ns).

I used these parameters as follow:


I am running aMD at 298K but in the output file I noticed that the temperature raises a lot from 298K to about 320K (please see file attached).

Many thanks for your help.

AMBER mailing list

(image/jpeg attachment: temp.jpg)

Received on Mon Nov 04 2013 - 00:00:02 PST
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