Re: [AMBER] netcdf trajectory

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Sat, 24 Sep 2016 13:53:48 -0700

> Problem reading CRD file

One possible cause is your md run terminated abnormally, and the file wasn't closed properly.

Bill


On 9/24/16 1:39 PM, Andrew Bostick wrote:
> Dear Daniel and David,
>
> Thanks for your answers. I did what you suggested to obtain trajectory file
> as netcdf.
>
> To visualize the trajectory file using VMD 1.9, I loaded *.prmtop at first
> then I loaded *.netcdf files with amber coordinates with periodic box. But
> VMD did not show any thing in OpenGL window:
>
> vmd > Info) Using plugin parm7 for structure file
> C:/Users/baharrayane/Desktop/test/comp_sol.prmtop
> Info) Analyzing structure ...
> Info) Atoms: 26383
> Info) Bonds: 26400
> Info) Angles: 0 Dihedrals: 0 Impropers: 0 Cross-terms: 0
> Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
> Info) Residues: 8250
> Info) Waters: 8119
> Info) Segments: 1
> Info) Fragments: 8128 Protein: 1 Nucleic: 0
> Info) Using plugin crdbox for coordinates from file
> C:/Users/baharrayane/Desktop/test/density.netcdf
> Problem reading CRD file
> Info) Finished with coordinate file
> C:/Users/baharrayane/Desktop/test/density.netcdf.
>
> What is the reason of this issue?
>
> Any help will highly be appreciated.
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> AMBER.ambermd.org
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Received on Sat Sep 24 2016 - 14:00:03 PDT
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