Dear all,
I'm trying to obtain the coordinates of a geometric center of a group of
atoms via the avgcoord command in cpptraj, e.g.
avgcoord :20-25.CA outfile coord.dat magnitude
However, I obtained the error "Warning: Unknown Command avgcoord" .
My cpptraj is from AT12 (patched up to bugfix 35).
I checked the AT manual of version 12 and 13, but could not find any
syntax errors in my input.
Do I miss something here or is there a problem with this command in the
AmberTools?
Best regards,
Anselm
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Received on Tue May 21 2013 - 15:00:02 PDT
