Dear user,
I generate a.crd file of 60 Giga (a protein in a water box, 10 ns, n tot
atom ca. 8000).
I am using ptraj to strip water but
the ptraj command is over 30 minutes on
PTRAJ : trajin XXX.mdcrd
checking coordinates : XXX.mdcrd
Is it a normal?
Is it possible to manupulate with ptraj a file of these dimensions?
I have no other ideas to strip water to generate a movie with vmd.
thanks to help
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Received on Mon Nov 02 2009 - 10:00:03 PST
