[gmx-developers] the charge of GROMOS force field

[Mark Abraham]

Hi,

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ask on gmx-users mailing list instead.

Mark

On Fri, Mar 11, 2016 at 1:14 PM 黄须啟 <huangxuqi14 at mails.ucas.ac.cn> wrote:

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