#!/bin/csh -f

set sander = $AMBERHOME/exe/sander.MPI

/bin/rm -f min

cat > min <<EOF
Initial Minimization of solvent + ions
 &cntrl
  imin   = 1,
  maxcyc = 10,
  ncyc   = 5,
  ntb    = 1,
  ntr    = 0,
  cut    = 8.0,
  ntpr = 1, ntx = 1, 
  icfe=1,klambda=6,clambda=0.5
 /
EOF

cat > groups_md <<EOF
-O -i min -p prmtop1 -c inpcrd -o min.out.p1 -r min.rst.p1 -x mdcrd_02.traj.p1
-O -i min -p prmtop2 -c inpcrd -o min.out.p2 -r min.rst.p2 -x mdcrd_02.traj.p2
EOF

mpiexec -np 4 $sander -ng 2 -groupfile groups_md < /dev/null || goto error 

