Hi All,
I am trying to do the energy decompostion analysis using perl script. The
specification of my protein ligand complexes are as below:
Protein: 1-329 residues
Co factor: residue 330
Bound Inhibitor: residue 331
For my study, I am not interested in considering the bound cofactor. So I
put following specification in the script but it is showing error *#RECMAP +
#LIGMAP != #COMPRI*.
What I understood that I have wrongly defined the COMPRI in the below
mention script. Please suggest me how can I consider only protein residues
without considering the cofactor.
DCTYPE 2
#
COMREC 1-329
COMLIG 331-331
*COMPRI 1-329,331*
RECRES 1-329
RECPRI 1-329
RECMAP 1-329
LIGRES 1-1
LIGPRI 1-1
LIGMAP 331-331
Hirdesh
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Received on Thu Jun 02 2011 - 03:00:03 PDT
