FPGA based GROMACS setup

[gravityshouldbenaut]

Circuits for an FPGA GROMACS +CHARMM setup have been provided here: https://www.bu.edu/caadlab/hprcta_09.pdf

Here are a list of tasks to help facilitate development of the circuit using Vitis AI to make setup as straightforward and lacking in hardware intensivity as possible:

• Write Eself and Born equations as Tensorflow math functions
• Replace Tensorflow math functions with those completable by Vitis AI as found here https://docs.xilinx.com/r/1.3-English/ug1414-vitis-ai/vai_q_tensorflow-Supported-Operations-and-APIs
• Setup asynchronous running in python (https://docs.xilinx.com/r/1.3-English/ug1414-vitis-ai/C-Example)