I would like to us in Forcite the GAFF2 force field ... The atom definitions as well as all parametrization for this force fields is available. But I am afraid the Materials Studio can not work with this MM force field from following reasons:

1)  A lot of FF atom types of the identical element. The identification  of ff atom-types requires rules not supported in Materials Studio

2) Required external not-recognized atom types parameters generation. When some parameters for given combination of FF type atoms are missing, they are automatically generated based on similarity.

Do you thing it is in principle possible to add GAFF2 support to Materials Studio from our side (in the form of .off file) ?

We had already implemented GAFF2 support for GULP on our side, but to transfer this engine in Materials Studio is impossible.

Michal Husak

UCT Prague