Re: [AMBER] RESP charge fitting

From: David A Case <david.case.rutgers.edu>
Date: Thu, 3 Sep 2015 14:18:39 -0400

On Thu, Sep 03, 2015, CHAMI F. wrote:
>
> I am looking into the example for RESP Charge fitting for bis-napthy, I
> would like to know how the bis_1.in
> and bis_2.in were generated ...
>
> it is very tedious for a multiconformational charge fitting to generate
> as many input files -- any tools out there

The "Amber" approach is to use respgen as an aid. Many people also use the
R.E.D. web server, http://q4md-forcefieldtools.org/RED/.

...dac


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Received on Thu Sep 03 2015 - 11:30:05 PDT
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