Hi,<br><br>I read that some have been using GROMACS to model epoxy polymers, and I'm wondering which force field you've been using. I'd ideally like to implement the new DFTB+ code into GROMACS to run some QM/MM simulations of epoxy/TiO2 nanocomposites.<br>
<br>Thanks,<br>Chris Rowan<br>