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

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comcon1 opened this issue Apr 9, 2024 · 1 comment
Open

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

comcon1 opened this issue Apr 9, 2024 · 1 comment
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@comcon1
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comcon1 commented Apr 9, 2024

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.
@comcon1 comcon1 added the bug Something isn't working label Jan 12, 2025
@markussmiettinen
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For an example, see e.g. system 128.

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@markussmiettinen @comcon1