[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,
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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 |
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