[gmx-users] demux.pl input file

[Andrea Pérez-Villa]

Dear Nawel,
You need to concatenate the log files of replica "0".
Regards,

Andrea

2015-09-02 12:16 GMT+02:00 Nawel Mele <nawel.mele at gmail.com>:

> Dear Users,
>
> 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
> demux.pl scriot.
> 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
>
>
>
>
>
> --
>
> Nawel Mele, PhD Research Student
>
> Jonathan Essex Group, School of Chemistry
>
> University of Southampton,  Highfield
>
> Southampton, SO17 1BJ
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-- 
Andrea Pérez Villa
*"Res non Verba"*