[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.


Hotmail en Messenger on the move 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20041214/66ec75ca/attachment.html>

More information about the gromacs.org_gmx-users mailing list