Dear amber community,
I am using new parameterised residues, one of which causing problems. When I try to read an pdb file containing this residue which has been generated using ambpdb, into xleap, xleap crashes and I get error messages as follows:
fenix 54% !FATAL ERROR----------------------------------------
!FATAL: In file [chirality.c], line 121
!FATAL: Message: Atom CT1 is not in the first list
!
!ABORTING.
This does not happen if I read in a pdb file which contains the new residue only.
What might be the problem?
best regards,
Anna
--
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Received on Wed Dec 06 2006 - 06:07:27 PST
