Steered Molecular Dynamics Simulation

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Xinyan Yang

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Nov 9, 2023, 10:09:24 PM11/9/23

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Hi,

Are there any ways to perform constant velocity SMD in HOOMD.MD? Just like what LAMMPS and NAMD could do? https://www.ks.uiuc.edu/Training/Tutorials/namd/namd-tutorial-html/node18.html

Best,

Xinyan

Joshua Anderson

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Nov 10, 2023, 4:04:07 PM11/10/23

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Xinyan,

Yes. I am aware of users that have implemented this in Python using HOOMD's API.

------

Joshua A. Anderson, Ph.D.

Research Area Specialist, Chemical Engineering, University of Michigan

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