[gmx-users] Monitoring of Salt bridges during simulation Run

Peter C. Lai pcl at uab.edu
Thu Apr 5 10:36:51 CEST 2012


If you have salt bridges you already know about and want to look at, you
can always go with g_dist per pair manually.

On 2012-04-05 12:23:02PM +0400, James Starlight wrote:
> Dear Gromacs Users!
> I'd like to monitor origin and destabilisation of salt-bridges during
> simulation time. In particular I want to define some charged residues
> within selection groups to monitor both of intra-protein as well as
> protein-protein interactions. In past I've used only
> g_hbond<http://manual.gromacs.org/online/g_hbond.html>utillity to
> monitor Hbonds within selection. Is there any specified program
> for such task but with salt-bridges only ?
> Thanks for help,
> James

> -- 
> 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

Peter C. Lai			| University of Alabama-Birmingham
Programmer/Analyst		| KAUL 752A
Genetics, Div. of Research	| 705 South 20th Street
pcl at uab.edu			| Birmingham AL 35294-4461
(205) 690-0808			|

More information about the gromacs.org_gmx-users mailing list