AMBER Archive (2006)

Subject: AMBER: xleap problems

From: anna.schrey_at_gmx.de
Date: Mon Dec 04 2006 - 05:45:07 CST

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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