Dear all,
After running MD simulations using the prmtop file generated from
chamber, i used ptraj to process the trajectories and run rmsd.
In the ptraj output, it stated that "PRMTOP does not contain %FLAG
BOX_DIMENSIONS there were errors upon reading parm file". I then check
the prmtop file generated using chamber and it really doesn't has box
info. The box dimension and angle are only found in my inpcrd file.
Despite this errors, i am still able to process my trajectories and
get the result for rmsd calculation. Is this important to concern
about?
Pls advise.
Thanks and regards,
Colvin
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Received on Thu May 17 2012 - 21:00:03 PDT
