Hi Anirban,
Use g_hbond with -g option.
-) Osmair
Date: Thu, 14 Jan 2010 13:54:09 +0530
From: [email protected]
To: [email protected]
Subject: [gmx-users] Finding H-Bond donor-acceptor pairs
Hi ALL,
I was just wondering if GROMACS has any tool to list out the hydrogen bond
donor-acceptor pairs (in terms of residue names/numbers) throughout a MD
simulation, say 10 ns. Can g_hbond be used to do this or is there any other
command/method?
Any suggestion is welcome.
Regards,
Anirban
_________________________________________________________________
Deixe seu computador compatÃvel com a sua vida. Clique para conhecer o Windows
7!
http://www.microsoft.com/brasil/windows7/default.html?WT.mc_id=1539
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
