[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



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20160313/432e73bc/attachment.html>


More information about the gromacs.org_gmx-developers mailing list