bruning at mpghdb.desy.de
Tue Sep 7 11:02:25 CEST 2004
the *.gro input of an MD run and the 0th frame from the resulting trajectory
show no structural difference, if I export them as pdbs and compare them
visually or via RMSD. But if I compare input and 0th frame as *gro files to
one and the same *tpr file using g_rmsdist they show a difference in RMSD
values of nearly 0.5 nm. Does anyone have an idea why this happens?
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