[AMBER] Tsolute and Tsolvent

From: Eduardo R. Almeida <eduardoe.r.a.hotmail.com>
Date: Mon, 27 Apr 2020 15:00:45 +0000

Dear Amber users,

I would like to know if the summary.TEMP file generated by the process_mdout.perl code corresponds to the average value of temperature involving the files: summary.TSOLUTE and summary.TSOLVENT. I tried to overlay these three files, but it seems that they are very different in terms of scale. Also, I would like to know what is the meaning of the axis in these files (summary.TSOLUTE and summary.TSOLVENT), since I know that summary.TEMP involves temperature versus time (ps).

Best regards,


AMBER mailing list
Received on Mon Apr 27 2020 - 08:30:01 PDT
Custom Search