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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 26 2012 - 01:00:02 PDT
