From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Mon Nov 01 2021 - 18:11:26 CDT
You mean lines like this?
Info: ERROR TOLERANCE : 1e-06
These aren’t specific to REUS calculations. This is set by the PMETolerance option, whose default is 10^-6. https://www.ks.uiuc.edu/Research/namd/2.14/ug/node25.html#6831
-Josh
From: <owner-namd-l_at_ks.uiuc.edu> on behalf of David Tang <davidtang_at_uchicago.edu>
Reply-To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>, David Tang <davidtang_at_uchicago.edu>
Date: Monday, November 1, 2021 at 5:43 PM
To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
Subject: namd-l: Error Tolerance
Hello,
I am running the BEUS simulation and I keep seeing the error tolerance parameter in my log files. From what I understand, this shouldn't be too concerning, but I was just wondering if someone could elaborate on what this parameter means as I do not explicitly set it anywhere in my configuration files.
Regards,
David
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