[gmx-users] .trr file
Low Soo Mei
lowsm at bii.a-star.edu.sg
Thu May 22 05:24:12 CEST 2008
Hi all,
I am quite new to Gromacs and would like to ask why the full _restart_
file .trr is designed such that every frame's coordinates and
velocities are retained? In NAMD and Amber only the last frame's
coordinates and velocities are necessary for a restart. I mention this
because am wondering why it appears that the full .trr file is read when
grompping for my continuation run.
Unless the Gromacs analysis tools also use the .trr file for analysis,
in which case keeping data for every frame in the .trr makes more sense.
Thanks in advance.
Cheers,
Soo Mei
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