Re: [AMBER] Preparing needed input files for TI

From: Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>
Date: Mon, 29 Feb 2016 12:00:53 +0000

The A9 tutorial assumes that you know how to set up and run basic MD.
To obtain parameters for small organic molecules see tutorial B4. The
AMBER manual has a chapter on force fields and provides for some good
background reading.


On Mon, 29 Feb 2016 11:26:02 +0000
Mahdieh Hadi <mahdieh.hadi.bric.ku.dk> wrote:

> Hi,
> I am going through the bellow mentioned tutorial. But, I wonder how
> should I prepare files the same as benz.lib and phen.lib for my
> interest ligands and receptor?
> http://ambermd.org/tutorials/advanced/tutorial9<http://ambermd.org/tutorials/advanced/tutorial9/#setup_sander>
> Is there any special commands for it? Best regards
> _______________________________________________ AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Mon Feb 29 2016 - 04:30:03 PST