I am not sure what your problem there is but my suggestions would be to
do a fresh download of the AmberTools and then start the update process
with the Python tool. But since AmberTools17 are soon to be released
you may want to just wait for that.
Cheers,
Hannes.
On Thu, 13 Apr 2017 12:01:35 -0400
Samaneh Ghassabi Kondalaji <saghassabikondalaji.mix.wvu.edu> wrote:
> Thank you for your fast reply. I remember now, this is update.9! I was
> getting an error like this one
> (http://archive.ambermd.org/201610/0212.html) when I was updating
> before installation and couldn't solve it. Reading through update 4
> and 9 description at the time (way before my need for nscu!), I
> decided to continue without. I will use Amber14 for this particular
> run now but I need to fix the problem for future runs, update and
> recompile. I would greatly appreciate if you have any suggestion on
> how to fix this update issue. Sincerely yours,
> Sam
>
> On Thu, Apr 13, 2017 at 11:40 AM, Hannes Loeffler <
> Hannes.Loeffler.stfc.ac.uk> wrote:
>
> > On Thu, 13 Apr 2017 11:29:59 -0400
> > Samaneh Ghassabi Kondalaji <saghassabikondalaji.mix.wvu.edu> wrote:
> >
> > > Dear Amber Users and Developers
> > > I am trying to perform a QMMM SMD simulation to monitor a PT
> > > reaction. I equilibrated my system and obtained replicates,
> > > However when I subject the replicates to SMD using the fallowing
> > > parameters and sander.MPI, it seems like sander is not reading
> > > the ncsu section and the variables.
> >
> > I suppose you have applied the recent updates to AmberTools. The
> > code (now called NFE) has been changed to read all inputs through
> > namelists. See nfe.pdf on http://ambermd.org/bugfixesat.html .
> >
> >
> > Cheers,
> > Hannes.
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
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Received on Thu Apr 13 2017 - 10:00:02 PDT
