Re: [AMBER] Processing of the trajectories using ptraj

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 3 Oct 2014 08:09:22 -0600

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
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-- 
-------------------------
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)
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Received on Fri Oct 03 2014 - 07:30:02 PDT
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