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fix wrong dim in box estimation #1165

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merged 1 commit into from Apr 12, 2021
Merged

fix wrong dim in box estimation #1165

merged 1 commit into from Apr 12, 2021

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anabiman
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@anabiman anabiman commented Apr 7, 2021

In the GromacsGroFile.write method, there's a logical bug in the way the box is estimated from struct.coordinates when it is undefined (incorrect dimension is used).

swails
swails approved these changes Apr 12, 2021
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Thanks!

@swails swails merged commit e4fad1a into ParmEd:master Apr 12, 2021
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@swails swails swails approved these changes

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