[AMBER] rmsd calculations on multiple trajectories

From: Hirdesh Kumar <hirdesh.iitd.gmail.com>
Date: Fri, 29 Jul 2016 14:26:54 +0200


I want to use three different trajectories to calculate the rmsd and store
the output in a single file.

parm A.prmtop
parm B.prmtop
parm C.prmtop
trajin A.mdcrd parm A.prmtop
trajin B.mdcrd parm B.prmtop
trajin C.mdcrd parm C.prmtop

rms A first :1-88.C,CA,N rmsd.dat
rms B first :288-328.C,CA,N rmsd.dat
rms C first :1-88.C,CA,N rmsd.dat

how should I define *first* for each and every trajectory?

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Received on Fri Jul 29 2016 - 05:30:03 PDT
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