AMBER Archive (2004)

Subject: Re: AMBER: esp or resp for all_amino94.lib

From: FyD (
Date: Fri Apr 30 2004 - 18:28:57 CDT

Dear Mikyung,

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

RESP charges

> 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?


Regards, Francois

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