[gmx-users] Dynamics of the salt-bridges

James Starlight jmsstarlight at gmail.com
Fri Feb 1 21:22:37 CET 2013

Dear Gromacs users!

I have trajectory from which I want to investigate dynamics of all
possible salt bridges (E.g distance between adjacent + and - charged
residues) of my protein during the simulation

As I understood ussage of g_saltbr -t -sep could be suitable for such
thing but I'm not sure in validness of -t for definition of the native
salt bridges ( e.g with the default settings g_saltbr produced huge
number of all possible combinations of the polar contacts within my
protein ). Is there any others gromacs tols for such investigation?


More information about the gromacs.org_gmx-users mailing list