Dear Soumendranath Bhakat,
I already have the parameters for Zn , thank you very much for telling me where to write it . It worked :)
Many Thanks,
Roza
On Monday, June 2, 2014 3:12 PM, Soumendranath Bhakat <bhakatsoumendranath.gmail.com> wrote:
I think Zn is one of the cofactor attached with your complex. Zn parameter
you can get easily by googling previous Amber questions as well as any
chemistry workbook. Add line here mm_pbsa_calceneent.pm hopefully it should
work.
On Mon, Jun 2, 2014 at 1:27 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Mon, 2014-06-02 at 04:04 -0700, Roza M wrote:
> > Dear amber users,
> >
> >
> > I am trying to calculate the binding free energy for Zif 268-DNA
> > complex using MM-PBSA, but I couldn't because it gives me the
> > following : " no radius found for ZN " , In which file should I write
> > the radius for Zn atom?
>
> What kind of calculation are you running? What is your input file?
> What is your exact error message?
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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--
Thanks & Regards;
Soumendranath Bhakat
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Received on Mon Jun 02 2014 - 06:30:04 PDT
