NMRLipids / Databank

NMRlipids databank
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AddFile can count lipids improperly in MLs for highly dehydrated bilayers #181

Open comcon1 opened 5 months ago

comcon1 commented 5 months ago

Bug was found during processing of highly dehydrated membranes. Water layer is so thin and head groups are probably so close that AddData.py counts lipids in each ML improperly (85 / 115 instead of 100/100). I will report info-files for reproducing this bug in on of upcoming pull-requests, referring this issue.