Re: [AMBER] cpptraj : gzip or bzip2 netcdf trajectory files not recognized

From: David A Case <>
Date: Wed, 17 Jun 2015 13:27:04 -0600

On Wed, Jun 17, 2015, Gerald Monard wrote:

> What's the advantage, except size, of using the NetCDF format?

Loading netcdf files into cpptraj can be *much* faster than uncompressing
an ASCII file, then converting those to the internal representation.

Second, code can skip frames efficiently, rather than having to read the
intervening frames.

Third, values are stored in floating point format, so you avoid the dreaded
problem of finding '****' in the 5075'th frame.

Fourth, you can skip corrupted frames (which *do* happen occasionally) much
more robustly with netcdf than with ASCII.


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Received on Wed Jun 17 2015 - 12:30:04 PDT
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