[gmx-users] rmsf question

Andrei Neamtu neamtuandrei at gmail.com
Sun Mar 14 09:47:41 CET 2010


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.


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