# files in the zip archive
# tleap procedure
leap.in
# topology file
top.eth
# prepin and frcmod
ETH.in => ETH.lib
top.eth
# imput file for sander computation of the energy
calc.in
# used geometry
ethene00.pdb => for tleap
eth.pdb      => all geometries
# results
res1   n=1
res2   n=2
res3   n=3
res4   n=4
