[gmx-users] (no subject)

behnaz abdolmaleki behnaz.abdolmaleki at gmail.com
Mon Nov 17 15:15:26 CET 2014


Dear all

I want to calculate free energy by g_lie, but I do not know how to select
the length of  box for free ligand simulation.should I select the dimension
of box for ligand simulation (in free situation ) as same as the dimension
of box in complex simulation (receptor-ligand)? or I can do whit another
lenght ?

any help is appreciated


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