[gmx-users] g_sas, VdW radii

Michael Brunsteiner mbx0009 at yahoo.com
Thu Jul 8 18:26:45 CEST 2004

dear all,

Just tried to calculate the solvent accessible surface
area for a structure including non-protein molecules.
(using an extended OPLSAA FF, all atoms, however, are some
OPLSAA type)

g_sas says: 
WARNING: could not find a Van der Waals radius for 728 atoms

Does that mean 
a) these atoms are not included in the calculation of the SASA, or
b) some default value is used for these atoms ?

if the latter is true, what is this default value ? 


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