[gmx-users] Charge on the protein
raghuvir at bcpindia.org
raghuvir at bcpindia.org
Fri Jan 25 10:07:05 CET 2013
Hello
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
Regards
Raghuvir
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