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f5c97b3
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updated radical datasets and published model grappa-1.4.1-radical
8a93b8e
Merge branch 'unstable'
8ef28ae
Update README.md
28586b4
increased required lightning version
7718e5f
The spice-dipeptide_amber99sbildn had bad nonbonded parameters for a Histidin variant.
9426cbf
with uncapped peptides
156c3af
0705bf7