The comma you are using is the problem. I believe the correct way of writing
it would be like this:
COMPRI 1-329 331-331
with a space in between 1-329 and 331-331 instead of a comma.
I hope that helps.
-Bill
On Thu, Jun 2, 2011 at 5:58 AM, Hirdesh Kumar <hirdesh.iitd.gmail.com>wrote:
> 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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>
--
Bill Miller III
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-6715
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Received on Thu Jun 02 2011 - 04:00:02 PDT
