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Releases: graeter-group/grappa

v.1.4.1

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@LeifSeute LeifSeute released this 03 Jan 08:07

updated radical datasets and published model grappa-1.4.1-radical

v.1.4.0

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@LeifSeute LeifSeute released this 25 Nov 16:28
Merge branch 'unstable'

v.1.3.1

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@LeifSeute LeifSeute released this 03 Aug 17:35
8ef28ae
Update README.md

v.1.3.0

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@LeifSeute LeifSeute released this 03 Jul 23:19
28586b4
increased required lightning version

v.1.2.0

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@LeifSeute LeifSeute released this 20 Apr 14:41

The spice-dipeptide_amber99sbildn had bad nonbonded parameters for a Histidin variant.

v.1.1.0

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@LeifSeute LeifSeute released this 27 Feb 01:35

with uncapped peptides

v.1.0.0

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@LeifSeute LeifSeute released this 10 Feb 09:37
156c3af
Update README.md

v.0.1.1

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@ehhartmann ehhartmann released this 25 Oct 14:35
  • Include best model