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Update or deprecate GMX tutorials #64

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cbkerr opened this issue Sep 26, 2023 · 0 comments

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cbkerr commented Sep 26, 2023 •

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As Bradley noted when updating examples

in flow.gmx-lysozyme:

Fatal Error
Cannot find position restraint file restraint.gro (option -r).

in flow.gmx-mtools

Failing due to use of Berendsen thermostat/barostat, which raises fatal warnings

cbkerr changed the title ~~Update or deprecate GMX tutorial~~ Update or deprecate GMX tutorials

cbkerr mentioned this issue

Update examples for signac 2.0 #62

Merged

bdice mentioned this issue

Migrate to GitHub Actions CI #67

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