Repulsive wall potential or spherical boundry conditions

From: Almeida-Hernández, Yasser, Dr. (
Date: Fri Oct 23 2020 - 05:13:55 CDT

Dear all,

I am kinda new with restraints in NAMD.

My problem targets a water box, where those located at a certain radius from the system's COM are restrained/confined in a sphere of that radius. Diggin in the documentation I think this can maybe be done with a reflective/repulsive wall potential or spheric boundary conditions.

I would really appreciate it if someone guides me with an example or tutorial, like or similar to this problem.

Thanks in advance.



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