Jelle Vekeman

icon location FWO Postdoctoral Research Fellow at the Center for Molecular Modeling (CMM), Ghent University

Results 3 issues of Jelle Vekeman

Tracking energy minimization should be possible now

This comment is no longer accurate according to the referenced OpenMM issue. https://github.com/molmod/openmm-tutorial-msbs/blob/4bed3e2837e5acdca0e5d36bcbe3ed7e06eef7b9/01_first_steps/01_water.ipynb#L206

VSC setup broken

1 comment

Setting up the environment on VSC does not work anymore in my case. Following the [instructions](https://github.com/molmod/openmm-tutorial-msbs/blob/main/setup_vsc.md), I can no longer open Jupyter Lab. When clicking the launch button, the session...

Micromamba installation

It would be useful to have 'manual' installation instrictions for micromamba for people that require more flexibility in their environment (starting master thesis and PhD students).