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[`openmoltools.forcefield_generators.generateOEMolFromTopologyResidue`](https://github.com/choderalab/openmoltools/blob/master/openmoltools/forcefield_generators.py#L137) currently uses the default Op…
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@peastman -- should I add an SWN4-NDP to the water dropdown menu? I'm not really to familiar with it, but I saw that the forcefield was added to the app.
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I want to be able to save the `RelativeHybridTopologyProtocolSettings` object to a JSON file to track the settings used in my calculations however I get validation errors when trying to parse the file…
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When I try to simulate glycans with Openmm using the script below, I get the error I mentioned at the bottom. Is there a solution for this or is it due to a lack of development in forcefield in the XM…
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Sorry if I am missing some trivial knowledge here.
I want to write topology and parameters to forcefield XML format. Looking at Structure it can read XML but not [write XML](https://parmed.github.i…
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The original idea was that `open-forcefield-group/openforcefield` would house the stable codebases that our collaboration produces. Do we want the property calculation framework to live there instead,…
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if "break unbreakable"=true (antimatter configs) crashes server upon forcefield projector (only) destruction, both on and off: https://pastebin.com/xgj3RXHy
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Hi,
I am new to moltemplate, so I am sorry if I asking a (trivial) question here. I wanna create _forcefield.lt_. Can I use LAMMPS `variable` command in my script? I would like then use this _force…
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when I start Minecraft it crashes with this message:
Error: net.minecraftforge.fml.common.LoaderExceptionModCrash: Caught exception from Modular ForceField System (modularforcefieldsystem).
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I'm discussing with @bas-rustenburg (the student heading up the constant-pH work) what setting up a constant-pH simulation should look like to the OpenMM user using the `app` layer. We'd like your in…