[gmx-users] Adding polyatomic ions using genion or genbox ..

Alberto Sergio Garay sgaray at fbcb.unl.edu.ar
Fri Jun 13 13:38:08 CEST 2014


Dear Users:

I would like to know if it is possible to add some polyatomic ions  
inside a pre-equilibrated (water + solute) system using genion or  
genbox...?

I don't want to lose my equilibrated water around my macromolecule...

If this is not possible can you give any piece of advice of how I can do it..

Thanks in advance


-- 
Dr. Sergio Garay
Facultad de Bioquimica y Cs. Biológicas
Universidad Nacional del Litoral
Santa Fe - Argentina
C.C. 242 - Ciudad Universitaria - C.P. S3000ZAA
Argentina
Ph. +54 (342) 4575-213
Fax. +54 (342) 4575-221






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