Dear Amber users!
I have a production run md trajectory of 500 ns splitted into 5
independent netcdf files of 100 ns calculated on cluster:
07_Prod_01.nc
07_Prod_02.nc
...
07_Prod_05.nc
I need to merge these 5 filles into one netcdf file 07_Prod_whole.nc .
may I use cpptraj in my bash script to load all 5 parts at once in the
following manner producing a merged netcdf file with removed PBC (the
script cpptraj0.in consists of Autoimage command.
# * should load ALL parts at once with y
cpptraj-p complex.prmtop -y 07_Prod_*.nc -x
${sim}/prod_${project}${simulation}_nopbc.nc -i cpptraj0.in
Many thanks in advance
Enrico
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Received on Mon Oct 09 2023 - 06:30:02 PDT
