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check for rotational constraints not working in GMX 5.1 #5

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Tsjerk opened this issue May 13, 2016 · 0 comments
Open

check for rotational constraints not working in GMX 5.1 #5

Tsjerk opened this issue May 13, 2016 · 0 comments

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@Tsjerk
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Tsjerk commented May 13, 2016

GMX 5.1 does strict checking of arguments before running anything, while previous versions first process the mdp file. This means that the check as implemented will fail.
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@Tsjerk