[gmx-users] How do I calculate per-atom per-frame SASA?

Denny Bromley bromley.denny at gmail.com
Sat Dec 30 01:58:02 CET 2017

Hi all,

I apologize for the newbie question, but the google machine is failing me.
I am currently outputting the per-frame SASA as well as the per-atom
mean+-stdev, but what I would like is per-atom per-frame sasa.  Is this
possible? Gromacs must be touching those values in order to calculate mean
and stdev, I just want it to save them out.


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