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

Hi Execute g_sas to get protein interface From David = If you have protein A and B in complex you do three g_sas: AB AB A A B B the interface is now A + B - AB WHy not HALF of (A+B-AB) ? Thank you Lin -- gmx-users mailing listgmx-users@gromacs.org

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

Hi Execute g_sas to get protein interface From David = If you have protein A and B in complex you do three g_sas: AB AB A A B B the interface is now A + B - AB WHy not HALF of (A+B-AB) ? Thank you Lin -- gmx-users mailing listgmx-users@gromacs.org

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

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.