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
