[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
More information about the gromacs.org_gmx-users
mailing list