[gmx-users] Charge on the protein

raghuvir at bcpindia.org raghuvir at bcpindia.org
Fri Jan 25 10:07:05 CET 2013


while executing grompp following message is seen although the .tpr file 
is generated

System has non-zero total charge: -3.000000
   Total charge should normally be an integer

I have used AMBER99SB as the force field to prep the topology to run 
implicit solvent simulation.

How relevant is this.  Or do I change the force field



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