[gmx-users] How to neutralize 0.748e system charge

[Sundargenesan]

Dear GROMACS users,


Total charge of my system:

Including chain 1 in system: 2041 atoms 207 residues

Including chain 2 in system: 2036 atoms 206 residues

Including chain 3 in system: 44 atoms 1 residues

Now there are 4121 atoms and 414 residues

Total mass in system 46007.483 a.m.u.

*Total charge in system 0.748 e*



Is it possible to make charge in system zero and how?


Thanks in advance for your reply
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