License checking about q2mm HOT 4 OPEN

Do you want something like this? If the regex fails, go for it anyway. This may lead to data misalignment because MacroModel doesn't always return a nonzero exit status when it fails to complete a job, but I suppose it would fail either way.

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The only thing that would worry me in this case is if there is an old log file from a previous iteration around, that got used instead of the one that should have been created. As long as the data misalignment is guaranteed to cause a crash, not erroneous data, I’d say let it run.

From: Eric Hansen [mailto:[email protected]]
Sent: den 7 juni 2016 17:13
To: ericchansen/q2mm [email protected]
Cc: Norrby, Per-Ola [email protected]; Author [email protected]
Subject: Re: [ericchansen/q2mm] License checking (#24)

Do you want something like this? If the regex fails, go for it anyway. This may lead to data misalignment because MacroModel doesn't always return a nonzero exit status when it fails to complete a job, but I suppose it would fail either way.

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Oh, good thinking. Maybe the simplest way to deal with this would be to delete .q2mm. files before attempting a new MacroModel calculation.

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Yes. It's not thinking, it's remembering (I've done sooo many mistakes in this field...)

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