[gmx-users] Charges and Antechamber

[Sergio Manzetti]

Hi, I was wondering what the best approach is to simulate a negatively charged topology imported from ANTECHAMBER (which can't do integral charges): 

1. Do QM calculations on the molecule, then edit the output from Antechamber 

or 

2. Do something else. 

Sergio Manzetti 

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