#/bin/tcsh

cpptraj -i pt-prepare.in > pt-prepare.log
sander.MPI -O -i mdin-imin5 -o single.mdout -p ../../../tip3p/ff12sb/run1/build/full.topo.hmr -c firstframe.crds -y ../ctraj.c2 -r /dev/null -inf single.mdinfo
