AMBER Archive (2004)

Subject: AMBER: esp or resp for all_amino94.lib

From: Mikyung Seo (seo_at_ualberta.ca)
Date: Fri Apr 30 2004 - 18:06:54 CDT

Hi Amber members,

I am wondering that what kind of charges are for all_amino94.lib in Amber7.0.
Are they Esp or Resp?

I first want to reproduce the charges for Arg with same geometry in
all_amino94.lib and calculate the charges for neutral Arg.

When I calculate charges using same geometry and method, am I supposed to have
same charges for each residue as those in all_amino94.lib, right?

Thanks.
Mikyung

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