How can i merge multiple log files?

User discussions
1

i use -noappend option in simulation and that make multiple log files called
tprout.part001.log
tprout.part002.log … for one temperature , how can i merge them ?

2

They’re text files. Use cat. But there’s no need to concatenate these for any normal analysis. The energy values are stored in the .edr file(s), which can be concatenated with gmx eneconv and subsequently analyzed, and the statistics in the .edr files are truly correct because they consider fluctuations over all MD time steps, not just what is written to .log files at relatively sparse intervals.

1 Like
3

thanks a lot for replying , excuse me can you help in this

4

I don’t have any relevant experience with REMD, so I can’t comment.

1 Like