From: Cosseddu, Salvatore (S.M.Cosseddu_at_warwick.ac.uk)
Date: Fri Mar 07 2014 - 08:21:35 CST
When you submit a calculation you usually use something like
$ namd2 file.conf > file.log
You you want to monitor the simulation you can just use
$ tail -f file.log
$ less file.log
and then press "F". If you want your output to be written more often you can change output frequency parameters such as outputEnergies.
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: 07 March 2014 14:08
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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