Maybe, this is a stupid question, but I really have no
concepts about other kinds of boundary conditions except
for pbc.
Anybody know how many or which boundary condition is
used in GMX except for pbc, and how to set the parameters
in the input files?
Because I wanna make a comparison with the results under
pbc.
You can find some the explaination of the type of pbc and
the way use them within gmx in the manual and certainly
extended explainations in any book introducing MD
simulations. This can not easily explained by email.
Best
XAvier
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