I'm trying to get the RMSd out of some mdcrd files. I'd previously
gotten it to work with the tutorial but I can't remember exactly how.
For providing an input file to ptraj I put the commands
trajin X.mdcrd
rms first mass out X.rms time 0.1
in the X.rms file.
When I run
AMBERHOME/exe/ptraj /home/X/X/X.parm7 < /home/X/X/X.rms
it gives me some processing output on the screen and then terminates
WARNING in ptraj(): No input trajectories specified (trajin), aborting
the mdcrd and rms files are in the directory I'm working in...
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Received on Sun Mar 12 2006 - 06:10:10 PST
