[gmx-users] My system is non-zero charge

Yinghong xieyh at hkusua.hku.hk
Sat Jun 5 08:13:07 CEST 2004

Hi, dear all:
I have a system which have non-zero charges, normally, we need to add counterions (Na or Cl) to neutralize the whole system.

However, in my system, when I run "grompp", non-integral charges (e.g. 1.50e+00) are detected, so under this case, my system 
could not keep neutral even if corresponding ions are added.

What should I do with this kind of problem?
Thanks a lot!

Hongkong University
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