Nice code, but move to utils

rinikerlab / PyGromosTools

This package is a python library with tools for the Molecular Simulation - Software Gromos. It allows you to easily set up, manage and analyze simulations in python.

https://rinikerlab.github.io/PyGromosTools/

MIT License

16 stars 14 forks source link

Nice code, but move to utils #219

Closed RiesBen closed 2 years ago

RiesBen commented 2 years ago

This should go into utils

https://github.com/rinikerlab/PyGromosTools/blob/4ebc4ffd8f4e738eb40d1cb103fc719b736e321a/pygromos/files/simulation_parameters/imd.py#L18

pultar commented 2 years ago

I agree, and it probably should have a better docstring.

RiesBen commented 2 years ago

true!