I really have not tried to load this script to the cpptraj. In case of
those trajectory there were some problems with the periodicity so I was
looked for the possibility to fix it using correct restr file. Are there
any difference between processing algorithms in cpptraj and ptraj?
James
2014-10-03 16:09 GMT+02:00 Daniel Roe <daniel.r.roe.gmail.com>:
> Hi,
>
> Does it work in cpptraj?
>
> -Dan
>
> On Fri, Oct 3, 2014 at 6:13 AM, James Starlight <jmsstarlight.gmail.com>
> wrote:
> > Dear Amber users!
> >
> > Recently I've faced with the problem of processing of one of my netcdf
> > trajectory using ptraj:
> >
> >
> > #ptraj protein.parm7 cpptraj.in
> >
> > trajin md.nc 4227 last 2
> > reference protein.inpcrd
> >
> > as the result I've obtained:
> >
> > ERROR in ptrajProcessInputCoordinates(): Getting cell lengths: NetCDF:
> > Attempt to convert between text & numbers
> >
> > I've load another trajectories with the same sequences of the commands
> and
> > no errors have been during its processing. Is it possible to fix it by
> > conversion to another trajectory format for instance (there is no any
> > problems with the loading of this trajectory in the VMD)?
> >
> > James
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Oct 06 2014 - 00:30:02 PDT
