GROMACS version: 2018-2021 List item GROMACS modification: Yes/No As shown in the figure，some researchers have explored the transport of water molecules through the pore of graphene oxide membrane under the applied pressure( Impact of Surface Ionization on Water Transport and Salt Leakage through Graphene Oxide Membranes | The Journal of Physical Chemistry C (acs.org)). S…

GROMACS version: 2020 GROMACS modification: No Hi, We just got a grant approved and it comes with a decently beefy budget to build a new machine. For our purposes, we mostly run enhanced sampling heuristics with lots of short simulations running in parallel. This creates a little confusion when deciding how to build the system (4 high end GPUs vs 8 weaker ones etc). I was wond…