AMBER Archive (2006)

Subject: AMBER: about ligand charge

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Tue Sep 12 2006 - 22:16:27 CDT

Dear all

for antechamber, we shoild input the -nc, which is the
net charge. I think is should be a integer number,
right? Furthermore, there is saying that Antechamber
can calculate the partial atomic charge of the ligand.
WHat will be the difference between the -nc and the
partial atomic charge of the ligand? In which output
file of the ANtechamber we can find the partial atomic
charge of the ligand?

I am looking forward to getting your reply.

Best regards.

Fenghui Fan

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