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Aug 31st, 2016
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  1. import parmed as pmd
  2. parm = pmd.load_file("old.parm7")
  3. # suppose your H is 1st atom
  4. atom = parm.atoms[0]
  5. # add you stuff here
  6. atom.name =
  7. atom.type =
  8. atom.atomic_number =
  9. atom.charge =
  10. parm.save('new.parm7')
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