[gmx-users] LJ potential for Heme iron ???

[nk yx]

hi,all
   Since the Lennard Jones(LJ) potential parameters for iron(FE) is missing 
in the ff???nb.itp, the MD simulation was always crashed in my system 
containing heme. So, Would you be so kind to provide the LJ parameters for 
FE if you know the data in other force fields,e.g.Charmm.
  thanks in advance.
nkyx

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