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Tutorial. Mi primer dinámica molecular con Gromacs, apoyado con Charmm-gui.
En este tutorial vamos a hacer la dinámica molecular más sencilla. Una sola proteína en solución, preparada con Charmm-gui. El objetivo es familiarizarse con el uso básico de Gromacs, y ver si todo funciona en nuestra pc. Está principalmente dirigido a quienes núnca han hecho una dinámica molecular. Aquí mis redes sociales para armar ...
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聚合物的LAMMPS分子动力学教学：建模+软势+退火+MSD扩散系数+压缩拉伸力学性能+链取向分析(Materials Studio、CharmmGUI建模)
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