[gmx-developers] Bug in analysis programs with frame skipping.

Wed Apr 20 11:54:52 CEST 2005

O Wed, Apr 20, 2005 at 12:02:07PM +0200, Berk Hess wrote:
> ramon at juguete.quim.ucm.es wrote:
> 
> In general it should not be necessary to use double precision
> analysis tools on single precision trajectories though.

The problem happened with a xtc trajectory generated by double precision
mdrun. Apparently the timestep was stored as single precision.