Toni Mey comments

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                                            Toni Mey

Setup instructions for python require knowledge of bash

I'd be happy to implement the change.

Setup instructions for python require knowledge of bash

Finally made a pull request, sorry for being so slow about this.

Which testing framework should we recommend? nose2 or pytest?

Pytest!

LiveCOMS Article based on this?

I'd be happy to contribute to this!

OpenMM parsers

@jmichel80 and @davidlmobley I suppose the 'parser' we currently have with the somewhat suboptimal fileformat can be incorporated here. I'll try and see what the easiest way to do so...

[PRE REVIEW]: oxDNA: coarse-grained simulations of nucleic acids made simple

@editorialbox assign me as editor

[PRE REVIEW]: oxDNA: coarse-grained simulations of nucleic acids made simple

@editorialbot assign me as editor

[PRE REVIEW]: strucscan: A lightweight Python-based framework for high-throughput material simulation

@editorialbot assign me as editor

Crystal waters

I must admit I have never used TIP4P water, so I don't think I have any useful recommendation here.

Slow performance of combine.py

I'll take a look and let you know if I can figure out what might be happening.