[gmx-users] ligand topology error

[az kalsom]

hi,

whenever, i Submit the molecule to ATB (
http://compbio.biosci.uq.edu.au/atb/index.py)
FOR BUILDING THE TOPOLOGY OF LIGAND, IT SAYS

Your job that was submitted at 2013-02-01 00:56:07 (RNME = _NGD) had at
least one error. Specifically, the QM calculation failed. The most likely
cause is that either: (1) the geometry was inappropriate; (2) the number of
hydrogen atoms or the net charge was inappropriate

what should i do this to remove the error?