AMBER Archive (2009)

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

From: Wei Zhang (zgjzweig_at_gmail.com)
Date: Mon Apr 06 2009 - 07:48:28 CDT

Hi,

    Can you be more specific about the problem with sleap?
I wrote the problem, so I might be able to help.

    Currently, amoeba only has parameters for amino acid.
Thus it will be hard to build system other than protein.

     SIncerely,

     Wei

On Apr 6, 2009, at 7:41 AM, Tomasio, Susana wrote:

>
> Hi all,
>
> I am trying to use amber with the amoeba force-field.
>
> Does anyone have an example/tutorial of see how it works.
>
> I am having problems with the sleap; xleap doesn't seem to work with
> the amoeba force-field.
>
> Thanks in advance,
>
> Susana
>
>
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