From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Fri Mar 07 2014 - 11:44:01 CST
If it is just monitoring what simulation step is roughly being calculated, then why not just use the log files? Unless I am missing something.
From: owner-namd-l_at_ks.uiuc.edu [owner-namd-l_at_ks.uiuc.edu] on behalf of Ivan Gregoretti [ivangreg_at_gmail.com]
Sent: Friday, March 07, 2014 6:08 AM
To: namd-l_at_ks.uiuc.edu list
Subject: namd-l: Monitoring progress of an ongoing molecular dynamics simulation
Could you share the way you monitor progress of an ongoing MD
simulation? ie What simulation step, roughly?
We need to monitor progress using command line tools, not GUI. It
would be trivial with unix tools if the output weren't binary.
I guess that a solution might involve VMD in text mode but all
suggestions are welcome.
Ivan Gregoretti, PhD
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