When I specify 3.O*,4.O*,5.O* this should take only 9 atoms whereas in ptraj
output it has taken 1260 atoms . What should my representation in the list
when I want to consider only three oxygen atoms in each residue.
Here residue 3 consists of 3 oxygen atoms and I want to calculate the water
shell contacts with these atoms.
Thanks
kirtana
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Received on Sun Sep 11 2011 - 20:00:02 PDT
