[gmx-users] how to neutralise: Non-integer charges

namita at ncbs.res.in namita at ncbs.res.in
Thu May 15 08:47:52 CEST 2008


Dear users

If you get a non-integer value for a charge, then how can you add charegs
to your system?

Eg:

NOTE:
System has non-zero total charge: -9.999998e+00


This error is possibly due to the topology file but then how can it be
recorrected?

Thanks
SIncerely
Namitha




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