SCMusson

All amino acids except glycine are chiral if the hydrogen are placed incorrectly it could lead to a mirror image.

[pdbfixer](https://github.com/openmm/pdbfixer/blob/master/pdbfixer/pdbfixer.py) uses templates to add missing atoms. I presume that It is desirable to keep openmm modeller more generally applicable than to just proteins but could a similar method defined...

I don't know if this is a related issue but I get some odd results with the below code testing the forcefields with addHydrogens: ``` from openmm.app import * from...

To be clear, my exampleplugin.i file has these imports: ``` #include "MyIntegrator.h" #include "OpenMM.h" #include "OpenMMAmoeba.h" #include "OpenMMDrude.h" #include "openmm/RPMDIntegrator.h" #include "openmm/RPMDMonteCarloBarostat.h" ``` If I remove the "#include "OpenMMDrude.h" I...

I made the most disturbing hacky fix for this. I removed all mentions of LangevinIntegrator from a copy of OpenMMSwigHeaders.i called myOpenMMSwigHeaders.i and imported this instead of OpenMMSwigHeaders.i. I hate...

I fixed the same issue by copying the libExamplePlugin.so to my miniconda lib directory (~/miniconda3/envs//lib)

For me CMAKE_INSTALL_PREFIX was /usr/local/openmm, and that's the folder that I was copying from into the environment lib folder. I thought that importing openmm first would allow the plugin to...

Both openmm installation and exampleplugin have identical CMAKE_INSTALL_PREFIX. the lib*.so file is being put in the /usr/local/openmm/lib folder but the python wrapper can't seem to find it. I assumed `from...

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