[gmx-developers] the charge of GROMOS force field

黄须啟 huangxuqi14 at mails.ucas.ac.cn
Sun Mar 13 14:22:59 CET 2016

Dear Professor:
>       *My simulation system containing boron element , how do I get its
> partition charge and force field parameters, I have been calculated ESP
> charge by Gaussian , can i use it? what method does the GROMOS force field
> to get its charge information?*I want to write rtp file whether I should add C-H information or not?

> *    I'm looking forward to your reply*!
>     huangxuqi
>     Sincerely

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