Macs in Chemistry

Insanely Great Science

Molecular simulation

AmberTools20 is now available!

 

New and updated forcefields:

  • FF19SB for proteins
  • Amber-Dyes parameters for fluorescent dyes and linkers
  • SIRAH model for coarse-grained simulations
  • Amoeba and GEM polarizable force fields, via gem.pmemd

Also

Now builds with cmake; conversion to python3

AmberTools consists of several independently developed packages that work well by themselves, and with Amber20 itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

The AmberTools suite is free of charge, and its components are mostly released under the GNU General Public License (GPL)

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