[gmx-users] losing data in trjconv?

Peter C. Lai pcl at uab.edu
Mon Oct 15 11:39:40 CEST 2012


Was traj.trr output by the same machine/mdrun as the machine you are running
trjconv on?

Is traj.trr (or the mdrun that wrote it) double precision and trjconv is 
compiled float (single precision)?

On 2012-10-15 02:31:00AM -0700, Gil Claudio wrote:
> Hi all,
> 
> When I do the following command
> 
> trjconv -f traj.trr -o traj_1.trr
> 
> the file size of traj_1.trr is around 25% smaller than traj.trr.
> 
> Does traj_1.trr contain less data than traj.trr?
> 
> Thanks
> 
> Gil
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