Hi all,
pmemd from a recent GIT pull crashes if I'm using a dummy atom whose mass
and atom name do not fall within categories in the get_atomic_number
routine in pmemd_lib.F90.
Is there any reason not to just print a warning? It's easy enough for me
to change my atom mass/name to work, but I want to make sure I'm not
missing something here ....
thanks!
--Niel
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Received on Thu Oct 24 2013 - 13:00:03 PDT
