I would be particularly worried about the parameters for silica. There are many parameter sets available that are only suitable for bulk silica and not for slabs or interaction with other materials.
Please also not that popular force fields like OPLS-AA, Amber, or CHARMM all have very different parameterization strategies and thus different balances between partial charges and LJ terms. Generic force fields have low accuracy and Dreiding is only parameterized on representing molecular structures, not non-bonded interactions. So there are lots of pitfalls.
1 Like