Dear Ambers,
I am trying to run a MD simulation on a protein-DNA-ligand complex. I wrote a
script to run tleap automatically to generate input files. I got an error
message:
Loading PDB file: ./new5mht.pdb
Created a new atom named: P within residue: .R<DC5 329>
Created a new atom named: O2P within residue: .R<DC5 329>
Created a new atom named: O1P within residue: .R<DC5 329>
!FATAL ERROR----------------------------------------
!FATAL: In file [chirality.c], line 115
!FATAL: Message: No C5 in aaOrig list
!
!ABORTING.
The "DC5 329" is the 5'-Cytosine in one DNA strain. I found "chirality.c" file
but I don't know what the aaOrig list means.
Thank you very much for help!
aini
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Received on Fri Oct 17 2003 - 16:53:01 PDT
