WOW...!! its working...Thank you jason.swails
Regards
Vijay
On Fri, Mar 6, 2015 at 8:58 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Fri, Mar 6, 2015 at 10:22 AM, vijay kumar narsapuram <
> nvijay1991.gmail.com> wrote:
>
> > I used following commands,then i got some ERROR which i am unable to
> trace
> > out..
> >
> > -$AMBERHOME/ParmEd-master/parmed.py
> >
> > -chamber -top top_all27_prot_na.rtf -top top_all36_cgenff_mod_vj.rtf
> -param
> > par_all27_prot_na.prm -param par_all36_cgenff_mod_vj.prm -str
> > AEE-ligand_hydrogens.str -psf newpsf.psf -crd newpdb.pdb
> >
> >
> > ERROR:
> > [snip]
> >
> > del self.pointers['IPTRES']
> > KeyError: 'IPTRES'
> >
>
> I basically *just* fixed this (someone reported it to me about 2 days
> ago). If you update ParmEd and re-run, it should work correctly. (Here is
> the Pull Request: https://github.com/ParmEd/ParmEd/pull/67)
>
> Thanks for the report,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Fri Mar 06 2015 - 09:00:02 PST
