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

parameters            ../params/charmm22
#verbose
randomseed            123456789
neighbor-list

#
#  Define the Periodic Box and Cutoffs
#

a-axis                62.23
vdw-cutoff            9.0
rattle

#
#  Set Parameters for Ewald Summation
#

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