Periodic Boundary Conditions which apply in SDA ( defined in mod_geometry.f90 ) More...
Periodic Boundary Conditions which apply in SDA ( defined in mod_geometry.f90 )
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References (see also http://mcm.h-its.org/sda7/doc/doc_sda7/references.html):
Brownian dynamics simulation of protein-protein diffusional encounter.
(1998) Methods, 14, 329-341.
Authors: M.Martinez, N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, R.R.Gabdoulline, M. Ozboyaci, S.Richter and R.C.Wade
Rules used in update_translation_box()
With a sphere geometry, no PBC is defined and a surface does not influence the algorithm
Only used for sda_2proteins, the solute starts at the b surface and the trajectory stops at the c surface
With a box geometry :