[gmx-users] Shell model

[Tandia, Adama]

Dear ALL:
I'm learning how to run shell model MD for ionic materials.
Can anyone help me get started with some .top and .mdp
files for CaF2 for example, or anything else?
Ultimate goal is to reproduce David's results on water.

Thanks in advance.
Adama


Adama Tandia
Modeling & Simulation
Corning INC
Corning, NY 14831 USA
Tel:  607 248 1036
Fax: 607 974 3405
www.corning.com <www.corning.com> 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20040610/231f815a/attachment.html>