MolSSI / covid

MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
https://covid.molssi.org
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Create IBPCAS-md.yaml #230

Closed elohimarthur closed 3 years ago

elohimarthur commented 3 years ago

Description

150ns simulation of six systems which obtain different glacans

Status

Lnaden commented 3 years ago

This looks good except for the missing trajectory key which should point to where the actual trajectory or zip file is. If that doesn't make sense for your data and/or the files URL you have is where the trajectory is, then just replace files with trajectory.

If the simplistic trajectory+files isn't sufficient to present your data, you can use the more arbitrary trajectory_data key to organize them however you want.