Dear users
I ran a MD simulation in parallel and I got 10 output files.
(I got 10 mdcrd files: PknGAde_md01.mdcrd, PknGAde_md02.mdcrd etc.; 10 .out files:PknGAde_md01.out, PknGAde_md02.out etc..)
Now, I want to analyze results obtained.
I mean, when I performed a 'non parallel' MD I used the process_mdout.perl script to perform to extract all properties. Now, each property is divided in 10 different file and I do not know I to use the process_mdout.perl script.
If for instance I want to monitor the TEMP during the whole MD, I can do it?
Thank you.
Best,
Valentina
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Valentina Romano | PhD Student | Biozentrum, University of Basel & SIB Swiss Institute of Bioinformatics
Klingelbergstrasse 61 | CH-4056 Basel |
Phone: +41 61 267 15 80
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Received on Fri Jun 27 2014 - 08:00:02 PDT
