[gmx-users] g_sas query

Tsjerk Wassenaar tsjerkw at gmail.com
Sat May 7 08:29:31 CEST 2011


Hey Anirban,

I would consider the ions part of the solvent. But the procedure is right.

Cheers,

Tsjerk

On May 7, 2011 7:35 AM, "Anirban Ghosh" <reach.anirban.ghosh at gmail.com>
wrote:

Hi ALL,

I want to calculate the SASA of a protein embedded in a bilayer along with
water and ions. So while using g_sas I understand that I need to supply all
non-solvent atoms as calculation group and Protein as the output group. So I
need to make a group with Protein+Lipid+Ions as the calculation group.
Right?
Thanks a lot in advance.

Regards,

Anirban

--
gmx-users mailing list    gmx-users at gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110507/f2f697cb/attachment.html>


More information about the gromacs.org_gmx-users mailing list