[gmx-users] NaCl

nishap.patel at utoronto.ca nishap.patel at utoronto.ca
Mon Aug 16 19:31:43 CEST 2010


     I want to simulate a simple NaCl ion in water. I know the method  
using genion which adds individual Na+ and Cl- ion, but I wish to  
simulate Na-Cl connected rather than free ions floating in water. When  
I ran the grompp command I got the error:
No default Bond types
So I am thinking, I need to add b0 and Kb values for NaCl? Is that correct?

I would really appreciate some help!


-Nisha P

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