Discussion:
[gmx-users] RMSF calculation
Hermann, Johannes
2018-11-30 14:17:56 UTC
Permalink
Dear gmx-users,

rmsf calculates the fluctuation around a reference structure. Now, what
is the reference structure? Is there a average structure calculated
before? Or is the structure in the tpr file taken as reference
structure? I would like to calculate it around a average structure as
the starting structure in the tpr might be a little away from a physical
state.

Thanks in advance!

All the best

Johannes
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