Commands

Command	Description
compenepts	compare TRG energies between two points
compenetop	compare MM energies between two points
compfreq	compare vibrational frequencies between two points
compgeo	compare internal geometries between two points
cos2grbf	convert cos series to rational basis functions for dihedrals
cvgradient	calculate and test gradients for collective variables
ffenergy	calculate MM energy
ffexternal	provides MM energies, gradients, and Hessian for the Gaussian program
ffgradient	calculate and test MM gradient
ffhessian	calculate and test MM Hessian
ffoptimize	optimize force field parameters
ffparams	assemble force field parameters from provided target sets
genpoints	generate points
genrotors	generate rotors for genpoints
getd3	get Grimme D3 dispersion parameters
getrmsd	calculate RMSD between two points
mmoptimize	optimize gometry
ptsfreq	calculate vibrational frequencies for given point
rmsdfit	supperimpose two points
top2stop	convert AMBER topology to simplified topology suitable for ffdevel commands
topfilter	manipulate with some FF interactions present in AMBER topology
topreport	print AMBER topology in human readable format
vdwenefilter	filter points generated by vdwgenprobe
vdwgenprobe	generate points for training of LJ parameters