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

2014-04-22 Thread aperez
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

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

2014-04-16 Thread aperez
Hi all, Today I have experienced a problem with the demux script applied in a replica exchange simulation. I have 16 replicas, and for each replica I have about 120 ns of MD. When I executed the script demux.pl on the log file, I noticed that the first column of the replica_*.xvg files had a