Re: [AMBER] How to build Amber topology and other files for inorganic crystalline material?

From: case <>
Date: Mon, 10 Jan 2011 09:22:28 -0500

On Sun, Jan 09, 2011, malay rana wrote:

> I am a new user to Amber. I wanted to build amber topology and
> forcefield/parameter files for
> a crystalline material whose coordinates for one unit cell is attached with
> this mail.

Amber is probably not the correct program for this sort of problem. It is
probably possible to do it, but only for experienced users who understand a
lot about Amber stores and processes information. Basically, Amber is
designed for biomolecules not for extended crystalline structures. I really
think you would be better off looking for a program more aimed at solid-state

...good luck...dac

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Received on Mon Jan 10 2011 - 06:30:07 PST
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