[gmx-users] Dummy atom vs Real atom

Mostafa Javaheri javaheri.gromacs at gmail.com
Fri Jul 21 17:30:33 CEST 2017


Dear gmx users

Does anyone know how a dummy atom with no Van der Waals interactions
(zero sigma and epsilon parameters) and also no mass and charges deals
with other real atoms inside the simulation box? Is that possible a
dummy atom with described characteristics get infinitely close to a
real atom during the simulation? Or even passing through each others?
Any help will be useful.

Thanks

M.Javaheri


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