Hydroxyapatite inter atomic potential

Dear All users

I am conducting MD simulation of HAP(Hydroxyapatite) . who knows what is the suitable inter atomic potential ?

Regards.

Dear All users

I am conducting MD simulation of HAP(Hydroxyapatite) . who knows what is the
suitable inter atomic potential ?

you meant to say, you *want* to perform MD simulations of HAP, right?

what is a suitable potential for a given system, is
a topic for the published literature, not a mailing list
about using a specific MD implementation.

also, in classical MD there is never *the* potential,
but there are always multiple ways to do the same
thing with different degrees for applicability, accuracy
and computational efficiency. what is a good choice
for you depends on what properties you need to
compute and what boundary conditions apply.
the discussion of theses topics are independent of
the MD code used and how that MD code is implemented.

axel.