Setting diffrent bond lengths

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PaulH

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Aug 13, 2021, 6:44:29 PMAug 13
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Hi,

I want to model interactions between atoms using harmonic potential and I want to specify every bond length between different atoms.
For instance if I have a polymer chain of 100 atoms, then I want specify the bond between 1 and 2, 2 and 3, and so on.

What is the easiest way to do this on HOOMD?

Thanks,

Joshua Anderson

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Aug 23, 2021, 7:56:27 AMAug 23
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PaulH,

You can use the gsd python package to write a gsd file with bonds: https://gsd.readthedocs.io/en/stable/python-module-gsd.hoomd.html#gsd.hoomd.BondData
------
Joshua A. Anderson, Ph.D.
Research Area Specialist, Chemical Engineering, University of Michigan
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