#!/bin/sh

cat<<EOF  > mdin
  benchmark a short md
 &cntrl
   igb=1, cut=20.0, rgbmax=20.0, 
   tempi=50.0, temp0=100.0, tautp=0.4, ntt=1,
   ntb=0, nstlim=100, ntpr=10, 
   ntx=1, irest=0,
   ntc=2, ntf=2, tol=0.0000001,
 /
EOF

sander -O -i mdin -p $1.top -c $1.mc.x -o $1.md.o
/bin/rm mdin restrt mdinfo