云东德芬子=移动的分子-分子动力学模拟的GPU代码包括PME

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.

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install.com
license.txt
manual.txt
notes.txt
README.txt
src
tests