[gmx-users] polarizable water?

[Victor Manuel Rosas-Garcia]

Hello everybody,

Currently, I have a SPC water box with some
Ca(2+) and CO3(2-) ions swimming around (I defined the itp file for
carbonate, got the charges from ab initio calcs, the whole system is
electroneutral).  How do I define the water to be polarizable?

Regards
  
Victor M. Rosas García, PhD
Coordinador del Posgrado en Ciencias
Facultad de Ciencias Quimicas, UANL
e-mail: quimico69 at yahoo.com
Tel: (81) 8329-4010 ext. 6253
Fax: (81) 8376-5375