[gmx-users] REMD, demux after 100 ns per replica

aperez a.pervilla at gmail.com
Tue Apr 22 18:47:22 CEST 2014


Hi,

I did an extra modification to the *.pl with the aim of being more general
with the time step.
I have just added a line that asks the time step.
Note: I don't know perl, so I apologize for the rustic way how I modified
the file.
Thanks,
Andrea 

proof_demux.pl
<http://gromacs.5086.x6.nabble.com/file/n5016005/proof_demux.pl>  

-----
Andrea Pérez-Villa
PhD student in Physics and Chemistry of Biological Systems
SISSA, Italy
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