#!/bin/sh

cat <<eof >mdin
 this is the "jac production nve" simulation from the Amber web site
 &cntrl
   ntx=7, irest=1,
   ntc=2, ntf=2, tol=0.000001, 
   nstlim=10000, 
   ntpr=1000, ntwx=1000,
   ntwr=10000, 
   dt=0.002, vlimit=10.0,
   cut=8.,
   ntt=0, ioutfm=1,
 /
 &ewald
  dsum_tol=0.000001,
 /
eof

output=jac_pmemd.o
../../bin/pmemd -O -i mdin -c inpcrd.equil -o $output 

/bin/rm mdin mdcrd restrt