#!/bin/ksh
MP_PROCS=16
export MP_PROCS
MP_HOSTFILE=host.file
export MP_HOSTFILE
export MP_SHARED_MEMORY=yes
export MP_WAIT_MODE=poll
#
../../exe/sander -O -i md5.in -o md5.out -p prmtop.wat -c md4.xyz -r md5.xyz -x md5.
crd -v md5.vel -e md5.en -inf md5.info
#
print "Done"