Re: [AMBER] Preparing needed input files for TI

From: mahdie hadi <mahdie.hadi.gmail.com>
Date: Mon, 29 Feb 2016 18:41:31 +0330

Thanks a lot.
On Feb 29, 2016 1:01 PM, "Hannes Loeffler" <Hannes.Loeffler.stfc.ac.uk>
wrote:

> 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 - 07:30:03 PST
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