Exactly..!!! Thanks Bill for your support. I knew comma is causing problem
but not able to resolve the issue. Thanks a Lot
Regards,
Hirdesh
On Thu, Jun 2, 2011 at 4:11 PM, Bill Miller III <brmilleriii.gmail.com>wrote:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Bill Miller III
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-6715
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Jun 02 2011 - 04:00:03 PDT
