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 - 07:30:04 PST
