[gmx-users] demux.pl input file
nawel.mele at gmail.com
Wed Sep 2 12:16:13 CEST 2015
I have performed a REMD simulation on a protein with 48 replicas. I have
400ns of REMD simulation and by consequence several restart simulation and
so several .log files:
run1_0.log , run1_0.log .... run1_47.log
run2_0.log , run2_0.log .... run2_47.log
runx_0.log , runx_0.log .... runx_47.log
I am interested on the lowest temperature trajectory and I want to use the
I have been through many similar questions in the forum but I am still
confused how to use the demux.pl script.
Should I need to concatenate all my log files like this:
cat run1_1.log run2_1.log ... runx_1.log > run_total.log
cat run1_0.log run1_1.log run1_2.log ... run1_47.log
run2_0.log run2_1.log run2_2.log ... run2_47.log ...
runx_0.log runx_1.log runx_2.log ...runx_47.log > run_total.log
Many thanks for your help.
Nawel Mele, PhD Research Student
Jonathan Essex Group, School of Chemistry
University of Southampton, Highfield
Southampton, SO17 1BJ
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