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New experimental autoimage mode #1119

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merged 29 commits into from
Dec 6, 2024
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@drroe drroe commented Dec 6, 2024

Adds experimental mode byvec keyword to autoimage. This needs a bit more testing but seems stable for now (in serial).

drroe added 29 commits November 8, 2024 08:29
fixed molecule w.r.t. the anchor molecule and tries to move it in as
close a configuration as possible to the original orientation
@drroe drroe added the New keywords New keywords for existing commands. label Dec 6, 2024
@drroe drroe self-assigned this Dec 6, 2024
@drroe drroe merged commit 77f5392 into Amber-MD:master Dec 6, 2024
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@drroe drroe deleted the autoimage.byvec branch December 6, 2024 20:30
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