资 源 简 介
The GPU-based code FEN ZI (yun dong de FEN ZI in Mandarin or moving MOLECULES in English), an MD code enabling simulations at constant energy (NVE), constant temperature (NVT), and constant pressure and temperature (NPT). FEN ZI uses a modi ed version of the CHARMM force eld41 in terms of force eld functional forms and measurement units. The entire MD simulation (i.e., intra-molecular and long range potentials including PME) is performed on the GPU.
