[gmx-users] about total charge

Rui Li moonfine at mail.sdu.edu.cn
Mon Apr 23 11:17:53 CEST 2007


Dear all,

When I use grompp,it warns:
NOTE:
  System has non-zero total charge: 1.172000e+01

So I add 12 Cl- in my system.
Then I use grompp again,it warns:  
NOTE:
  System has non-zero total charge: -2.799983e-01

How can I make the total charge zero?
 
 





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