AMBER Archive (2009)

Subject: Re: [AMBER] bintraj and amber 10

From: Chris Moth (chris.moth_at_Vanderbilt.Edu)
Date: Thu Apr 23 2009 - 12:46:44 CDT

> Is there any way to see the precision of what is written in the netcdf
> file?

Google gives this

http://ambermd.org/netcdf/nctraj.html

And, the ncdump tool which comes with netcd gives some clues.

mycomputer> ncdump -h 16301-16400.crd
netcdf 16301-16400 {
dimensions:
        frame = UNLIMITED ; // (63 currently)
        spatial = 3 ;
        atom = 35196 ;
        label = 5 ;
        cell_spatial = 3 ;
        cell_angular = 3 ;
variables:
        char spatial(spatial) ;
        float time(frame) ;
                time:units = "picosecond" ;
        float coordinates(frame, atom, spatial) ;
                coordinates:units = "angstrom" ;
        char cell_spatial(cell_spatial) ;
        char cell_angular(cell_angular, label) ;
        double cell_lengths(frame, cell_spatial) ;
                cell_lengths:units = "angstrom" ;
        double cell_angles(frame, cell_angular) ;
                cell_angles:units = "degree" ;

// global attributes:
                :title = "" ;
                :application = "AMBER" ;
                :program = "pmemd" ;
                :programVersion = "10.0" ;
                :Conventions = "AMBER" ;
                :ConventionVersion = "1.0" ;

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