[gmx-users] The total charge is not integer : -0.00465

SAKO MIRZAIE sako.biochem at gmail.com
Tue Dec 3 21:59:35 CET 2019


Hi All,
I did some MD  studies on a protein: polymer system. After running grompp,
it said, "the total charge is not an integer". the total charge is -0.00465.
Can I continue the MD by adding -maxwarn flag? or it will be a problem and
I will get unrealistic results?

Best,

-- 
***********************************************
Sako


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