dombrowsky

> Have you tried using [OpenMM Setup](https://github.com/openmm/openmm-setup)? It provides a simple user interface for cleaning up PDB files. Unfortunately, I have around 6500 pdb files for which I want to...

> [PDBFixer](https://github.com/openmm/pdbfixer) provides an API for doing it programmatically. Nice tip, thanks a lot. - I am using Manjaro Linux with GCC 12. - Unfortunately, conda does not want to...

Okay, I played a lot with the code in the constructor of ContextImpl in ContextImpl.cpp: - the Context constructor will set the value of platform to zero when constructing ContextImpl,...

I had to use clang in the first place, because gcc triggers an internal compiler bug in version 12.2 with OpenMM. Interestingly enough, I was able to recreate the bug...

Wenn man einen Export als CSV haben möchte, ja. Aber man kann alle Einträge öffentlich einsehen.

Hi, @jthorton thank you for your reply. I will try to follow your advise and try another theory level. On another note, can you by any chance point me to...