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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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Hi @maicol93 #999

Closed dizhou-wu closed 3 years ago

dizhou-wu commented 3 years ago

Hi @maicol93

Trajectory post-processing (including wrapping) should be done with HTMD. We try to avoid the duplication of functionality and keep ACEMD as fast as possible.

Originally posted by @raimis in https://github.com/Acellera/htmd/issues/946#issuecomment-566537293