[Chimera-users] error running Antechamber
sdat_1 at yahoo.com
Fri Jun 22 10:55:52 PDT 2007
I am trying to prep a ligand using chimera for
docking. When I try to add charges, one error which is
always present is "Atom whose IDATM type has no Sybyl
type: #-99.-99:1 at CO(type: Co).
At the end the reply log asks to check the total
charge and spin multiplicity.
When I manually change the total charge, after the
Atom error briefly appears, Chimera either freezes
(windows) or runs the program
/../antechamber/exe/mopac.sh (in linux) infinitely.
Could someone help me decipher what is going wrong ? I
tried to change the input format of the ligand file
from .pdb to .sy2 but that didnt help.
thanks a lot
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