check input pdb for:
# missing residues (chain breaks) - done
- unknown residues,
+# unknown residues - done
max length (1000),
max number of dissulfides (30),
etc,
check input for other errors (sequence ?)
-add web viewer NGL WebGL
+# add web viewer NGL WebGL
+# done
# add BOXX BOXY BOXZ in advanced md and mremd
# done