Dear All,
> I have saved velocities and coordinates of all atoms using
> ioutfm=1 flag using pmemd amber11. Now i want to do some analysis
> using velocities. I don't know any other way to read netcdf format hence I
> am planning to use ptraj to convert it into ascii format and doing further
> analysis. However ptraj (ambertool 12) cannot read read velocities from
> netcdf velocity file. I got the following error -
>
> PTRAJ: trajin md_prod_120_ps.vel
> Checking coordinates: md_prod_120_ps.vel
> NETCDF file:
> Error: No coordinates are present in the NetCDF file md_prod_120_ps.vel
> Error setting up NETCDF trajectory for reading.
> Could not process trajectory md_prod_120_ps.vel
>
> I expect format of trj and velocity file to be same(as is the case for
> ascii files), I am not sure why its not working and how can i get in
> working. Other ways to read netcdf files are also welcome.
> Thanks
>
>
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Received on Tue Jun 26 2012 - 02:30:02 PDT
