[gmx-users] Interaction across PBC

Steven Neumann s.neumann08 at gmail.com
Tue Apr 23 12:37:44 CEST 2013

Dear Gmx users,

My protien has got some strong acidic and strong basic parts. I fold and
unfold my protein with different temperaturss. I bserved high affinity of
those regions towards each other, they are very close to each other over
the simulation.

How can I possibly check whether my two regions do not interact across the
boundary conditions with such high affinity?


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