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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