[gmx-users] g_sas

Berk Hess gmx3 at hotmail.com
Tue Dec 14 17:24:46 CET 2004


>Dear all,
>I'm trying to carry out an accessible surface area calculation on a
>protein sistem bound to its substrate. There's a way to obtain this
>value without missing the steric contribution of substrate?
>

The CVS version of g_sas does this for you,
if you create a calculation group which consists of the protein + substrate
and use the protein as output group.

Berk.

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