AMBER Archive (2006)

Subject: AMBER: Any difference about RESP or ESP with Chelpg or MK

From: Jianzhong Liu (
Date: Tue Apr 04 2006 - 10:51:36 CDT

Dear Amber users,

I just wondering why we don't use Chelpg or MK to calculate the charge of
our molecular system since they also produce charges fit to the
electrostatic potential at points selected.

Are there any difference?


Jianzhong Liu

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