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

[Justin A. Lemkul]

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
> 
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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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