The most useful method in terms of understanding both Gromacs and
graphene oxide (GO) would be to follow the existing tutorials for
pristine graphene/CNTs and then extending the approach to GO. That said,
it is very strange that all these topology servers fail on things as
structurally simple
Hi Users
How do I generate the required .itp file to perform MD simulation for
bilayer Graphene oxide. structure in OPLSAA ff? Adapting the already
available server or script to generate the itp file look little vague.
Andre Minoia is pretty easy for monolayer sheets or CNTs. In case of this
