Dear gmx-users, I want to develop an itp file for an organic molecule which has
87 atoms. I deduced the charge using the common Resp procedure with RED-III
tool.However , I am not quite sure if the Resp charge or Esp charge can be used
in Gromos forcefield, if not, how does Gromos forcefied deduce its charge
distribution?
Any suggestion will be appreciated, thanks in advance.
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