one more change

This commit is contained in:
Steve Plimpton
2024-06-21 08:00:50 -06:00
parent 6b42545044
commit d0da16070b

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@ -74,10 +74,10 @@ of the data file like these with :math:`M` and :math:`N` lines each:
PiTorsions PiTorsions
1 1 8 10 12 18 20 1 1 2 4 3 20 21 24
2 5 18 20 22 25 27 2 5 21 23 22 37 38 41
[...] [...]
N 3 314 315 317 318 330 N 7 27 29 28 30 35 36
For PiTorsion Coeffs, the first column is an index from 1 to :math:`M` For PiTorsion Coeffs, the first column is an index from 1 to :math:`M`
to enumerate the pitorsion types. The second column is the single to enumerate the pitorsion types. The second column is the single