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Fix GMX patch with ENERGY #316

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GiovanniBussi opened this issue Nov 13, 2017 · 3 comments
Closed

Fix GMX patch with ENERGY #316

GiovanniBussi opened this issue Nov 13, 2017 · 3 comments

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@GiovanniBussi
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GiovanniBussi commented Nov 13, 2017 •
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See discussion at these posts:
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recent

It looks like the solution is already proposed in the post, we should check it and include it.
@carlocamilloni
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carlocamilloni commented Dec 13, 2017 •
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addressed here 430b6a9 and here 7d2d64e
I would still leave a note that it is safer to use nstcalcener=1 but at least on CPU all the cases I tested worked well

@GiovanniBussi
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@carlocamilloni this is closed now right?

@carlocamilloni
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carlocamilloni commented Feb 27, 2018 via email

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@GiovanniBussi @carlocamilloni