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**Submitting author:** @espottesmith (Evan Spotte-Smith)
**Repository:** https://github.com/BlauGroup/RNMC
**Branch with paper.md** (empty if default branch):
**Version:** v1.0.0
**Editor:** Pending
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The `ase-omm` CLI command takes (requires?) as an input a NanoVer-OpenMM simulation xml, however, this runner does not actually read the `Integrator` field from this xml. This means that you can't spe…
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## Desired behavior
In the current implementation of the WheelSlip plugin the wheel normal force is a static parameter. I think it would be beneficial to give an option to use the wheel normal force …
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### Background
After running a Molecular Dynamics (MD) simulation, it is often necessary to parse the output files to calculate the Mean Square Displacement (MSD). The output file, MD_dump, contains …
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JAXsim currently focuses only on sampling performance, exploiting `jax.jit` and `jax.vmap`. Being written in JAX, the forward step of the simulation should be differentiable (also considering contact …
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There are some options we can choose for forward dynamics simulation step. They are integration method, handling method for velocity constraints and position constraints. There could be number of comb…
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## New Use Case
Aspect | Detail
------------ | -------------
Summary | C1997 (Platforms providing web-access to molecular level tools for guiding systems level modelling)
Usecase Group | Molec…
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I am pretty much a noob at fluid dynamics, but need to do some quick calculations on the characteristics of some boats for digital prototyping.
After some poking around I started to get a hang of F…
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Similar to #244. Currently, the only way of freezing certain atoms in a simulation in place (at least that I'm aware of) is by using an `ase` calculator which outputs 0 forces on the respective atoms.…
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Currently, DART corrects positional violation using artificial velocity with ERP. High ERP may correct the violation fast, but it can make the system unstable by adding too much artificial energy. On …