Added functionality for splitted lipids - Githubissues

NMRLipids / Databank

NMRlipids databank

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Added functionality for splitted lipids #124

Closed pbuslaev closed 1 year ago

pbuslaev commented 1 year ago

This solves two issues for NMRPCA:

results are now written into json file
splitted lipid (e.g. from Lipid17 trajectories) are not correctly treated

TODO:

there is still a problem with lipid names (see discussion in #2 )
OpenMM trajectories should be added