[gmx-users] g_mdmat: number of contacts

antra saxena antrasaxena83 at gmail.com
Thu Feb 8 21:59:14 CET 2018


I am using g_mdmat to compute the number of contacts formed by the C-alphas
of each residue with other residue.
The manual says: "*A**lso a count of the number of different atomic
contacts between residues over the whole trajectory can be made*."

The title of the .xvg file says:   title "Increase in number of contacts".

What does "*increase*" in number of contacts mean?
Does the tool make sure its not double counting the contacts?


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