AMBER Archive (2009)

Subject: RE: [AMBER] Amber with AMOEBA force-field

From: Tomasio, Susana (S.M.T.Tomasio_at_warwick.ac.uk)
Date: Mon Apr 06 2009 - 07:49:28 CDT

Thank you for your reply.

I am trying to do that example with jac.pdb, but I don't know how to create the box in sleap.

Do I have to do everything in sleap?

Thanks a lot,

Susana

-----Original Message-----
From: amber-bounces_at_ambermd.org on behalf of David A. Case
Sent: Mon 4/6/2009 1:47 PM
To: AMBER Mailing List
Subject: Re: [AMBER] Amber with AMOEBA force-field
 
On Mon, Apr 06, 2009, Tomasio, Susana wrote:
>
> I am trying to use amber with the amoeba force-field.
> Does anyone have an example/tutorial of see how it works.

Look at the examples/tests in amber10/test/sleap/amoeba. Those should
work, and give you sample inputs and outputs.

...dac

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