[gmx-users] SASA calculation

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Thu Apr 18 16:38:20 CEST 2019

Hi all,

I'm trying to calculate the SASA of my protein, however I am getting this warning message:

WARNING: Masses and atomic (Van der Waals) radii will be guessed
         based on residue and atom names, since they could not be
         definitively assigned from the information in your input
         files. These guessed numbers might deviate from the mass
         and radius of the atom type. Please check the output
         files if necessary.

How can I fix this?


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