[gmx-users] rmsf question

[Andrei Neamtu]

Hi,

is there a rapid way to compute RMSF on an NMR ensemble from a PDB file?

g_rmsf needs a .tpr file. This is OK with the MD trajectories but if I
want to compare MD ensemble one with the NMR RMSF ensemble
fluctuations from the original PDB this is not possible.

Thanks,
Andrei