[gmx-users] salt bridge

Caterina Bianchi caterina.bianchi at ehu.es
Sat Apr 9 09:32:15 CEST 2011

I would like to calculate the bindings that occur at the same time during my
md trajectory.

i.e. The binding between an atom of a residue of the protein and water
molecule and  the  binding between the same water molecule with another atom
of a residue of the DNA.

I need to also  identify which  atoms are involved in the formation of these
salt bridge during my trajectory.

I tried to use g_saltbr command, but I think that doesn't do to my case and
I didn't understand very well the output generated.


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