[Chimera-users] error running Antechamber

[S Datta]

Hi

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
SD


       
____________________________________________________________________________________
Got a little couch potato? 
Check out fun summer activities for kids.
http://search.yahoo.com/search?fr=oni_on_mail&p=summer+activities+for+kids&cs=bz