Hi,
I intended to calculate the alpha-carbon RMSD of my unrestrained MD run. I run ptraj with the following file named "md2.calc_rms":
trajin md2.mdcrd
rms first mass .CA
out md2.rms
time 1
image
strip :WAT
But I received warning messages and the out file (md2.rms) was not created. My md2.mdcrd file is 1.5GB in size.
WARNING in dispatchToken: Token string "out" not found in tokenlist
WARNING in dispatchToken: Token string "md2.rms" not found in tokenlist
PTRAJ: time 1
WARNING in dispatchToken: Token string "time" not found in tokenlist
WARNING in dispatchToken: Token string "1" not found in tokenlist
Any comments about what went wrong?
regards,Jeff
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Received on Sun Sep 20 2009 - 04:00:02 PDT
