hi i want to to simulate and model crossing magnetic nano-particles through blood brain barrier , which software do you suggest for molecular dynamics simulations?
Try AMBER, but it requires license.
GROMACS is more suitable as it is free, if you do not have financial support.
i have no experience in MD simulations so i want too choose the best option.
Maybe it is more realistic to try the Discrete Element Method (https://en.wikipedia.org/wiki/Discrete_element_method) rather than the Molecular Dynamics. DEM is included in the granular package of LAMMPS (https://lammps.sandia.gov/doc/pair_gran.html) and by more advanced DEM techniques in LIGGGHTS (https://github.com/CFDEMproject/LIGGGHTS-PUBLIC). Actually, LIGGGHTS is a DEM software build on top of the molecular simulation package LAMMPS. For alternative DEM software check the list https://www.simonwenkel.com/2018/01/06/list-of-opensource-DEM-software.html
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