[gmx-users] cgnr problems

[wangcl]

Hi,

   In manual gmx 3.3, I find "if possible, the total charge of a charge
group should be zero" .

In my systems, I want to do an artificial charge distribution model. So I
have some questions:

1.      I don't know whether it is right that I don't make the total charge
to zero in one charge group.

2.      Take an example, I add charge on a single wall nanotube. How do I
define charge group? 1 or 2 or 3 in a group? 

 

Thanks in advance.

 

 

Chunlei Wang

 

 

 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070918/4ee6d806/attachment.html>