Re: [AMBER] Parameter and coordinate files

From: David Case <>
Date: Sat, 16 Jan 2016 22:17:00 -0500

> On Jan 16, 2016, at 2:12 PM, Stefano Sarao S215563 <> wrote:
> I am applying the tutorial "Create parameter and coordinate files for Sustiva" ( to the molecule I attached in this mail.

oh, my. antechamber is intended to be run on small, drug-like molecules. It is trying to do a quantum chemistry geometry optimization on your system.

The program should to better error checking (e.g. on the number of atoms). But for now, you will have to break your molecule into pieces to get the proper parameters.


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Received on Sat Jan 16 2016 - 19:30:03 PST
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