#
#  Keyfile for MD Benchmark on AMOEBA DHFR/Water Box
#

parameters            ../params/amoebabio09
#verbose
randomseed            123456789
neighbor-list

#
#  Define the Periodic Box and Cutoffs
#

a-axis                62.23
vdw-cutoff            12.0

#
#  Set Parameters for Ewald Summation
#

ewald
ewald-cutoff          7.0
pme-grid              64 64 64
fft-package           FFTW

#
#  Set Parameters for Induced Dipole Convergence
#

polar-eps             0.00001
polar-predict
