::!/bin/sh :: This is an example using TOXD. :: The h-bonds are calculated for the sulphate molecules and waters residues :: 60 - 123. :: The first line gives the maximum energy of a listed h-bond. :: The second line should be 'INTER' if you wish only inter-subunit h-bonds. hbond XYZIN %TOXD%\toxd.pdb < %SCRIPTWIN%\hbond.dat