AMBER Archive (2008)

Subject: Re: AMBER: Help reg. input file

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Wed Jan 02 2008 - 13:34:40 CST

Quoting snoze pa <snoze.pa_at_gmail.com>:

> Hi, I am trying to study the Zn-porphyrin system using gaussian. I did the
> whole opt using gaussian. However I want to split the molecule into two
> parts, Zn and P.
> Does anyone have the gaussian input script for such system available. only
> input file is needed in gaussian .gjf or .com format.

My feeling is this is a bad idea to split Zn & porphyrin...

regards, Francois

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