A user-friendly, Python-based quantum mechanics/Gromacs interface: gmx2qmmm

被引：0
|
作者：
Götze, Jan P. [1 ]
Pi, Yuan-Wei [1 ]
Petry, Simon [1 ]
Langkabel, Fabian [1 ]
Witte, Jan Felix [1 ]
Lemke, Oliver [1 ]
机构：
[1] Physikalische und Theoretische Chemie, Freie Universität Berlin, Berlin, Germany
来源：
International Journal of Quantum Chemistry | 2021年 / 121卷 / 03期
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摘要：
Python
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