Dear AMBER-experts,
I want to automatise my trajectory analysis. For that I use a bash script to read them in using:
cpptraj prmtop <<EOF
trajin xxx_1.mdcrd
trajin xxx_2.mdcrd
trajin xxx_3.mdcrd
##analysis commands##
go
EOF
My filenames and my mdcrd counts differ a bit from run to run so I like to fill them in using variables. Filenames are not a problem, but the number of mdcrd files I would like to determine via checking if a filename-variable is setted. In this case I attach the trajin command for that file to an array.
if [ -n "$xxx_1" ]; then
Array+=('##necessary command##)
fi
Now I have the problem of using this array to call all the trajins.
Is there a way in cpptraj to call multiple files with one trajin command? (i.e.: trajin xxx1.mdcrd xxx2.mdcrd xxx3.mdcrd)
Alternative, is it possible to get those trajin commands in a single line? (i.e.: trajin xxx1.mdcrd; trajin xxx2.mdcrd; trajin xxx3.mdcrd)
This will enforce the way I have to use for implementing the array filling function.
Thanks in advance for your help! Hope, I didn't oversee these question in the Mailing Archive...
Falko.
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Received on Thu Jan 14 2016 - 05:00:03 PST
