Dear all,
Good evening
Perhaps this question has been asked but I could not find what I was
looking for, While running my production simulation, it crashed
multiple times due to computer restarting for one reason or another. Now i
want to combine them and i made the following input file
...........................................
trajin 05-production1ns.nc 1 257900 1
trajin 05-production1ns-1.nc 100 224900 1
trajin 05-production1ns-2.nc 100 16800 1
reference 04-eq-2.rst7
autoimage
center :1-60113 mass origin
image origin center familiar
trajout 05-production1ns-all.nc
............................................
the command line I will run is ptraj -p complex_solv.prmtop <trajin.in>
trajout.out
Is this the correct way to run?
Thank you
Regards
Ayesha
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Received on Wed Jan 20 2021 - 06:00:04 PST
