cat <<eof > mdin
  compute single-point energy 
 &cntrl
   cut=300.0, igb=2, saltcon=0.2, gbsa=1,
   ntpr=1,
   nstlim = 0, dt=0.002,
   ntt=1, tempi=300.0, temp0=300.0, tautp=2.0,
   ntx=1, irest=0, ntb=0,
 &end
eof
sander   -O -i mdin \
-c MD_DATA/trx.md.10.crd  -p trx.top  -o energy.out