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

James Starlight jmsstarlight at gmail.com
Thu Apr 5 10:23:02 CEST 2012


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
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