converting pdb to lammps data file

a) it is a bad habit to "hijack" a thread, i.e. continue with a
completely different question. so if you have a new question, post it
in a new e-mail with a suitable subject line
b) i have no time to debug other people's work, especially not data
files. if you can provide *convincing proof*, that a) you did
everything correctly and b) that a piece of software that i have
written does not function as documented, then i may look into that.
but there are many, many ways to shoot yourself in the foot, that you
will have to figure out what is wrong yourself.