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NAMD and CHARMM conversion fixes #348

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merged 3 commits into from
Mar 12, 2024

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ChiCheng45
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Description of work
Fixed the NAMD and CHARMM trajectory conversion fixes. Fixed MDT file loading issues with molecule chemical entities.

Fixes
Closes #314 Closes #315

To test
Convert NAMD and CHARMM trajectories from the MDANSE-Examples and load their MDT files.

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@MBartkowiakSTFC MBartkowiakSTFC left a comment

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I tried it out and it worked. I did not find any problems.

@MBartkowiakSTFC MBartkowiakSTFC merged commit 658d5a9 into protos Mar 12, 2024
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@MBartkowiakSTFC MBartkowiakSTFC deleted the chi/namd-charmm-conversion-fixes branch March 12, 2024 13:45
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