[gmx-users] How do I calculate per-atom per-frame SASA?
bromley.denny at gmail.com
Sat Dec 30 01:58:02 CET 2017
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.
More information about the gromacs.org_gmx-users