jaimergp

`mass` should be an attribute of an `Element` object, which in this case is `None`. This may be due to a strange element in your topology that OpenMM could not...

Hello! Quick report. The OMMProtocol manuscript is now submitted. As part of that effort, I wrote some accompanying documentation that is now published on http://ommprotocol.readthedocs.io. While proper tutorials are yet...

Thanks! And one more thing, I forgot to mention that you can find some prepackaged installers in the [releases section](https://github.com/insilichem/ommprotocol/releases) that might be helpful.

Hi! Thanks for your nice comments :) `trajectory_new_every` only splits DCD files every ns (or the value you chose) so you don't end up with huge trajectory files that can...

> I guess my question was, if I do ommprotocol for an interrupted simulation, will it automatically restart and run from the restart file, or will it run from the...

Maybe it's time we package this on conda-forge too, and make it `noarch` so it survives Python versions.

This is more related to `openmm` than to `ommprotocol` itself. We have seen this error several times for several reasons, but it's normally due to driver/cuda runtime incompatibilities, faulty GPUs,...

Awesome! I suggest that when we merge this one, we do it via Squash, so then we can easily omit this PR in the blame view via that github file...

Any thoughts about the rationale for the preview mode exposed in https://github.com/conda-forge/conda-forge-webservices/pull/616?

> a flag file to indicate the root of the env You can use `$PREFIX/conda-meta/history` for this, guaranteed to exist. > portable way to read the install prefix path Technically...