#
#  Keyfile for MD Benchmark on Small AMOEBA Water Box
#

parameters        ../params/water
#verbose
mpole-list
openmp-threads    1

#
#  Define the Periodic Box, Thermostat and Cutoffs
#

a-axis            18.643
thermostat        BERENDSEN
vdw-cutoff        9.0

#
#  Set Parameters for Ewald Summation
#

ewald
ewald-cutoff      7.0
pme-grid          20 20 20

#
#  Set Parameters for Induced Dipole Convergence
#

polar-eps         0.00001
polar-predict
