./clean $1
-./mdrun -c ./config -s $1
+cp -v config $1/config
+
+time ./mdrun -c ./config -s $1
if [ "$?" == "0" ]; then
#./perms
# old rasmol
#rasmol -32 -nodisplay < $1/visualize.scr > /dev/null 2>&1
./ppm2avi $1
-
- # copy config
- cp -v config $1/config
fi
fi