[gmx-users] amide partial charges

[Mark Abraham]

On 27/03/11, XUEMING TANG  <yujan2007 at gmail.com> wrote:
> Hi 
> 
>  
> 
> May I ask if anyone know a good reference for partial charges of "-CH2-NH-CO-CH2-CH2"(amide)? I plan to use gromos 53A6 force field. I searched the internet quite a while but not sure what is the best. I will be appreciated if you could recommend one with the reference paper. Thank you in advance!
> 
> 

Does the G53A6 paper not discuss it?

Mark

> 
> 
> 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110327/d6198a02/attachment.html>