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Converting gromacs all-atom trajectory to a hooomd gsd file #97

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dilnoza92 opened this issue Oct 17, 2019 · 3 comments
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Converting gromacs all-atom trajectory to a hooomd gsd file #97

dilnoza92 opened this issue Oct 17, 2019 · 3 comments
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0.7

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@dilnoza92
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Need a thorough documentation and a python script to convert an all-atom trajectory to a hoomd trajectory file.
@whitead whitead added this to the 0.6 milestone Jan 17, 2020
@whitead whitead assigned hgandhi2411 and unassigned dilnoza92 and mchakra2 Jan 17, 2020
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Use mdanalysis to parse coordinates from trajectory files and parse it to graph feeddict. Test how this would work independent of hoomd-blue.

@whitead
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whitead commented Jan 31, 2020

Remember to add MDAnalysis as dependency and be careful it doesn't bring in very recent version of tensorflow.

@hgandhi2411 hgandhi2411 mentioned this issue Feb 11, 2020
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@whitead whitead modified the milestones: 0.6, 0.7 Feb 21, 2020
@hgandhi2411 hgandhi2411 mentioned this issue Mar 6, 2020
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Addressed by #147

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