Updates for AmberTools 24
Opened this issue · 0 comments
mattwthompson commented
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