AMBER Archive (2004)

Subject: AMBER: tleap - FATAL error

From: Sivanesan Dakshanamurthy (sd233_at_georgetown.edu)
Date: Wed Jul 14 2004 - 16:28:41 CDT

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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