ABF subdividing the reaction coordinate

From: Pedro Swagger (pedrito.swagger_at_gmail.com)
Date: Wed Jul 10 2013 - 16:00:37 CDT

Dear everybody,

I am trying to use ABF and I have some questions. It may be a garbage
questions, but I am new to this. Sorry and apologize me.

When subdividing the reaction coordinate in equally spaced window for your
ABF simulation, the starting point for the simulation (in each new window)
should be the begining configuration of the protein in that window? or it
could be any configuration inside the window.


Pedro Swagger
Departamento de Física,
Facultad de Ciencias,
Universidad de Chile
Las Palmeras 3425, Ñuñoa, Santiago, Chile

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