[gmx-users] how to deduce charges for gromos forcefield?
sansanqin00 at mails.tsinghua.edu.cn
Sun Nov 25 10:21:47 CET 2007
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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