All,
I am using mmpbsa to do binding energy calculation between a metal surface
and a organic molecule . My calculations go through with a non zero internal
energy in my output files..My vacuum topology file of the metal surface
(receptor) was non bonded .
When I saved the topology file of the metal surface again with bond by
distance in xleap . The mmpbsa run fails with a glib(c) error .
I searched the pages of the archive , without any results. How can I follow
up with this error and what is the probable reason.
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Received on Thu Jul 07 2011 - 15:00:03 PDT
