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Published 20 hours ago • verified publisher icon openmm

source of amber ion parameters

Open thempel opened this issue 1 year ago • 1 comments

Hi, first let me thank you for this great project! It's super helpful.

I'm not 100% sure what the problem is, but when I install openmmforcefields via conda install -c conda-forge openmmforcefields, the amber/ions folder does not get copied. Local install from cloned repo with pip install . seems to work though. Could it be a problem that the ions folder is not listed in the setup.py?

https://github.com/openmm/openmmforcefields/blob/1b0dfe85344c05cd3abd848749e5e6ae212e42c2/setup.py#L65

thempel avatar Apr 28 '23 12:04 thempel