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feat: allow customizing trjconv output group #396

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merged 3 commits into from
Mar 4, 2024
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@jmbuhr jmbuhr commented Feb 29, 2024

was supposed to be a fix, now its a new feature. When the topology changes significantly (looking at you, hydrolysis) the output of trjconv after our trjcat drops all the frames if the output index group is not "System".

@jmbuhr jmbuhr requested a review from ehhartmann March 1, 2024 13:54
@jmbuhr jmbuhr added the testthis label Mar 1, 2024
@jmbuhr jmbuhr merged commit 97b5588 into main Mar 4, 2024
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@jmbuhr jmbuhr deleted the fix/concat-traj branch March 4, 2024 09:20
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