On Sun, May 8, 2011 at 3:53 PM, Kamali Sripathi <ksripath.umich.edu> wrote:
> Hi Jason,
>
> Thanks a lot for your reply.
>
> On Sun, May 8, 2011 at 8:56 AM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
> >
> > > Is it a problem that ptraj was not built with NetCDF support?
> > >
> >
> > Only if you want to process NetCDF trajectories. Is there a reason you
> > compiled without NetCDF support? (You have to go out of your way to omit
> > NetCDF support).
>
>
> That's actually the part that was confusing me, because as far as I could
> tell, I did compile AmberTools with NetCDF support, but for some reason,
> ptraj doesn't accept it.
>
> Configuring NetCDF; (may be time-consuming)
>
> NetCDF configure succeeded.
>
> As far as I know, my trajectories are formatted, because I don't set the
> ioutfm variable. Would the lack of NetCDF support still be a problem in
> this
> case?
>
Oh. What does your config.h file look like? What does the line that starts
with "NETCDF=" say?
You could also try to run those specific tests by hand to see if they pass
(because it might be fine).
HTH,
Jason
> Thank you, and sorry for repetitious questions.
>
> Kamali Sripathi
>
> HTH,
> > Jason
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
> >
>
>
> --
> Kamali Sripathi
> Graduate Student, Medicinal Chemistry
> Walter Laboratory
> 930 North University
> Ann Arbor, MI, 48109
> ksripath.umich.edu
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun May 08 2011 - 09:30:04 PDT
