[gmx-users] Average structure & "-s"

Carla Jamous carlajamous at gmail.com
Tue Feb 16 15:12:57 CET 2010


Hi everyone,
please I need to calculate RMSF after fitting to the average structure of my
MD simulation.
Can anyone tell me how to do that? (especially, how to calculate the average
structure)
Another question that may sound stupid: does the "-s" have the same function
with trjconv & g_rmsf? Can anyone clarify this option for me?

Thank you

Carla
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