#!/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 $CEXAM/toxd/toxd.pdb << eof 1.0 eof