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CCPBioSim / fesetup

A tool for setting up free energy simulations.
http://www.ccpbiosim.ac.uk/software
GNU General Public License v2.0
34 stars 18 forks source link

Amber updates #5

Closed skfegan closed 5 years ago

skfegan commented 6 years ago

FESetup1.2 uses ambertools16. Update code so it works with newer versions of ambertools.