Dear AMBER:
when I ran 'tleap' for the given protein-ligand complex, I got the following fatal error:
___________________________________________________
ERROR: Comparing atoms C, H251, H252, H253 to atoms N24, C, H253, H251
!FATAL ERROR----------------------------------------
!FATAL: In file [chirality.c], line 120
!FATAL: Message: Atom N24 is not in the first list
!
!ABORTING.
_______________________________________________
NOTE: N24 atom belongs to Ligand.
What may be the problem.
I would appreciate your reply,
Thanks
siva
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Received on Wed Jul 14 2004 - 22:53:00 PDT
