[gmx-users] g_rmsdist

[Marc Bruning]

Dear list,

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?

Regards,
Marc Bruning