[gmx-users] charges in .gro

[Rama Gullapalli]

I guess it depends  on what kind of molecule you are talking about. If it is de novo, you can try PRODRG (Not reliable) or Ab initio methods.
 Rama

Anthony Cruz <acb15885 at uprm.edu> wrote: Hi:
I want to know if is possible to create a .gro file that contains the atom 
charges.

Best Regards,
Anthony
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