Dear Dac,
Thanks for your instruction. I tried to run it with gz unzip files, ptraj or cpptraj, only netcdf file or with mdcrd files. The same error message appears.
Error: Could not set up file ../test.netcdf.gz for reading.Error: trajin: Could not set up trajectory.
[1]+ Done $AMBERHOME/cpptraj ../test.prmtop < test.ptraj > test.log
Could you mind to teach me how to read netcdf files? I am sure the netcdf file is OK, as it can be read by GROMACS too. What should I do next?
Best regards,
Catherine
> Date: Thu, 5 Jul 2012 19:26:47 -0400
> From: case.biomaps.rutgers.edu
> To: amber.ambermd.org
> Subject: Re: [AMBER] How to combine mdcrd and netcdf files to one single netcdf file?
>
> On Fri, Jul 06, 2012, Catein Catherine wrote:
> >
> > How to combine a series of mdcrd files and one netcdf file to one ?
> > single netcdf files I used trajin for both mdcrd and netcdf files, but ?
> > I found the error message of reading the last netcdf file. The Error ?
> > message seems to the restart information in the last netcdf file is ?
> > missing.
>
> a. What is the exact error message?
> b. Does it work if you read in just the netcdf file (and not the mdcrd ones)?
> c. Do you get the same error with ptraj and with cpptraj?
>
> Of course, it is certainly possible that the netcdf file is indeed corrupted.
>
> ...dac
>
>
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Received on Thu Jul 12 2012 - 22:00:02 PDT
