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Updates for AmberTools 24 #328

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mattwthompson opened this issue May 1, 2024 · 0 comments
Open

Updates for AmberTools 24 #328

mattwthompson opened this issue May 1, 2024 · 0 comments

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@mattwthompson
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Packages aren't up yet: conda-forge/ambertools-feedstock#141

There doesn't appear to be a new GAFF bundled compared to 23 (#281)

$ head -n1 amber24_src/dat/leap/parm/gaff*dat                                                              14:38:42
==> amber24_src/dat/leap/parm/gaff.dat <==
AMBER General Force Field for organic molecules (Version 1.81, May 2017)

==> amber24_src/dat/leap/parm/gaff2.dat <==
AMBER General Force Field for organic molecules (Version 2.2.20, March 2021)

==> amber24_src/dat/leap/parm/gaff211.dat <==
AMBER General Force Field for organic molecules (Version 2.11, May 2016)

Haven't looked at what other change(s) are relevant here
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@mattwthompson