Hi Steffen,
By default the script almost certainly uses a topology file that
defines only the H bonding hydrogens, and this determines which Hs are added.
If you want all the hydrogens use the topology file (along with its associated
parameter file) provided originally for NMR whose name escapes me at the moment
but has something obvious in the name like allh.
Jim
--
James Raftery
Structural Chemistry Department|E-Mail:jrtest at spec.ch.man.ac.uk
Manchester University | FAX:0161-275-4734
Manchester M13 9PL | Tel.:0161-275-4700
