Dear Asma,
Since you have -mc and -mr flags I suppose you want to do alannine scanning?
However, in your mmpbsa.in there is no &alanine_scanning namelist, which is
necessary for alanine scanning initialization.
Please read
http://ambermd.org/tutorials/advanced/tutorial3/py_script/section3.htm
Sandra
On Tue, Sep 8, 2015 at 9:21 AM, Asma Abro 28-FBAS/MSBI/F09 <
asma.msbi28.iiu.edu.pk> wrote:
> Thanks for the suggestion.
> I am still facing the same situation unfortunately.
> Can you please suggest something else?
>
> Best regards,
> Asma
>
> On Mon, Sep 7, 2015 at 5:31 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> > On Mon, Sep 7, 2015 at 1:03 AM, Asma Abro 28-FBAS/MSBI/F09 <
> > asma.msbi28.iiu.edu.pk> wrote:
> >
> > > Hi all,
> > >
> > > I am trying to perform MMPBSA using Ambertools 12. All the files seem
> > okay
> > > but no progress is being observed ahead of this:
> > >
> >
> > The first suggestion is to try updating to the latest version of
> > AmberTools (version 15, freely available on http://ambermd.org) and see
> if
> > you experience the same problems.
> >
> > AmberTools 12 is now at least 3 years old, and there have been a number
> of
> > improvements released since then.
> >
> > HTH,
> > Jason
> >
> > --
> > Jason M. Swails
> > BioMaPS,
> > Rutgers University
> > Postdoctoral Researcher
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
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Received on Tue Sep 08 2015 - 01:00:05 PDT
