[gmx-users] Force Fields for Solids

Christopher Rowan chriskrowan at gmail.com
Wed Nov 12 16:47:07 CET 2008


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.

Chris Rowan
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