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Add basic gro file reader #26
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ahy3nz
reviewed
Feb 11, 2019
ahy3nz
reviewed
Feb 11, 2019
I updated this just a little bit - in 622f19d I decided it's better to explicitly state the units, even though they'd be converted from I would like #35 merged in before this; I think it would make checking the box simpler and make other comparisons that we may wish to do easier. |
ahy3nz
reviewed
Feb 17, 2019
ahy3nz
approved these changes
Feb 17, 2019
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http://manual.gromacs.org/current/reference-manual/file-formats.html#gro
Note that residue information and atom numbers are not stored anywhere (though I added dummy variables to read them in)