[gmx-users] g_sas => protein interface => HALF of ( A+B-AB) ?

[Tsjerk Wassenaar]

Hi,

>> the interface is now A + B - AB"
>> WHy not HALF of (A+B-AB)  ?
>
> You are right.

A + B - AB gives the Buried Surface Area, which is the amount of
surface that gets excluded from the solvent by complexation (and
consequently is twice the size of the interface).

:)

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
Groningen Institute for Biomolecular Research and Biotechnology /
University of Groningen
The Netherlands