[AMBER] rmsf value for 2 chains

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Tue, 17 Jan 2017 17:08:59 -0600

I am trying to calculate rmsf values for 2 monomers and want to save output
in a single file. I followed following script:

cpptraj $top <<EOF
parm $top
trajin $nc
reference ../*-nowat.rst
rms reference .CA
atomicfluct chainI out RMSF-disul-aMD.dat :1-162.CA byres
atomicfluct chainII out RMSF-disul-aMD.dat :163-324.CA byres


I got an output file but the title of both columns are identical:
"AtomicFlx" although I mentioned chainI and chainII in the input script.

What m i doing wrong ?
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Received on Tue Jan 17 2017 - 15:30:02 PST
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