[gmx-users] OPLS-AA topologies for ATP/ADP.

[Lucio Montero]

Thanks very much.
      Lucio Montero.

--------------------------------------------------
From: "Justin A. Lemkul" <jalemkul at vt.edu>
Sent: Wednesday, February 25, 2009 5:55 AM
To: "Discusson list for GROMACS users" <gmx-users at gromacs.org>
Subject: Re: [gmx-users] OPLS-AA topologies for ATP/ADP.

>
>
> Lucio Ricardo Montero Valenzuela wrote:
>> Does anybody have the topology files for ATP and/or ADP for the OPLS-AA
>> forcefield?. If not, how can I parameterize this molecules?.
>
> Methods for parameterization can be found in the primary literature for 
> the force field.  A few notes on this advanced topic:
>
> http://wiki.gromacs.org/index.php/Parameterization
>
> -Justin
>
>> Best regards.
>>     Lucio Montero.
>>
>> Lucio Ricardo Montero Valenzuela
>> Instituto de Biotecnologia, UNAM
>> Departamento de Biologia Molecular de Plantas
>> Av. Universidad 2001, Col. Chamilpa
>> Cuernavaca 62210
>> Mexico
>>
>> ----------------------------------------------------------------
>> Este mensaje fue enviado desde el servidor Webmail del Instituto de 
>> Biotecnologia.
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>
> -- 
> ========================================
>
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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