Hello,
FWIW, just two minor comments regarding cpptraj:
- I am surprised that the order of arguments specified on the command
line matters. Currently, cpptraj -i inputfile -p prmtopfile is different
from cpptraj -p prmtopfile -i inputfile.
- In the AmberTools 13 manual in the cpptraj noxcol example
'datafile noxcol phipsi.dat' should be 'datafile phipsi.dat noxcol'.
Thanks and cheers,
Jan-Philip
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Received on Fri Aug 09 2013 - 03:30:02 PDT
