Hi,
This is indeed problematic. The .edr format (and its tools) are designed
with limitations that were not really a problem 10 years ago. One of the
limitations is that the time itself is stored in the same precision as the
simulation data, and this starts to lose precision as the simulation
Thanks for your explanation, Mark.
Concerning energy files and eneconv:
- I will try double-precision eneconv, as I don't mind larger files.
- In reply to the advice to reset the time of the energy files: how to
do it? eneconv has no option for this, although the help states:
With one file
Hi,
On Thu, Aug 20, 2015 at 4:00 PM Matthias Ernst
matthias.er...@physik.uni-freiburg.de wrote:
Thanks for your explanation, Mark.
Concerning energy files and eneconv:
- I will try double-precision eneconv, as I don't mind larger files.
- In reply to the advice to reset the time of the
Hello,
I have a quite long continuous trajectory coming from several initial
input pieces (cluster crashed...) that I want to downsample, as a start
from 0.5ps timestep in the source files to just 1ps and later bigger
timesteps.
Using the -dt option of trjconv (GROMACS 4.6.5.), there seem to be
