Hi All,
I am running rmsd with cpptraj (14.0) but getting these warnings (even I
use imaged or non-imaged traj). Though as suggested imaging is not required
for rmsd option
cpptraj input:
trajin traj.nc #OR trajin imaged_traj.nc
reference initial.inpcrd
rms reference mass :1-324 out rms.dat
Warning: Coordinates are being rotated and box coordinates are present.
Warning: Unit cell vectors are NOT rotated; imaging will not be possible
Warning: after the RMS-fit is performed.
I dont get these warnings when I simply image my traj as
trajin traj.nc
center origin :1-324
image origin center familiar
trajout imaged_traj.nc
Thanks for any help
JIom
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Received on Sat May 17 2014 - 10:00:02 PDT
