GMPavanLab / Swarm-CG

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization
https://pubs.acs.org/doi/10.1021/acsomega.0c05469
MIT License
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Reorganize test files #40

Closed giovannidoni closed 3 years ago

giovannidoni commented 3 years ago

Here I am moving test files under the test folder rather than G1DATA. Also, as the mdp input tiles are the default input files, needs to be in the repository and installed with it. Test files are adjusted accordingly.