Alex Berlaga
Alex Berlaga
Unfortunately, it does not: `Shape._make_func..make_func..func() got an unexpected keyword argument 'opacity'`
Hi, thanks for your help! I'll share log files here: ./configure --enable-libtorch --enable-modules=pytorch [config.log](https://github.com/user-attachments/files/17756508/config.log) ./configure --enable-libtorch --enable-modules=pytorch CXXFLAGS="-D_GLIBCXX_USE_CXX11_ABI=0" [config2.log](https://github.com/user-attachments/files/17756557/config2.log)
After trying many things, increasing the friction coefficient to 1/ps seems to make this PBC issue go away. I am not yet fully convinced that it's not a coincidence, but...
Could such an error occur because of a very low constraint tolerance (maybe the integrator is doing something crazy to enforce a desired temperature)? I noticed that mine is 1e-8,...
It seems like this could be a CVPack issue, rather than an openmm issue... when I added a new "force" through CVPack that simply keeps track of certain distances [...