ABF error calculation

From: Valeria M. (hakubai_kou_at_hotmail.com)
Date: Fri Dec 11 2009 - 09:57:25 CST

Dear NAMD Users :

I want to compute the error in ABF
calculations, as it is explained by Rodriguez et. al. I understand that
I need the instantaneous component of the force, but I don't know how
can I get it. I mean, I've already done the energy calculation, and I want
to get the instantaneous force, but I don't want to run the ABF
calculation again. Is it possible to get this information with a short
run?

Thanks in advance,

Valeria.
                                               
_________________________________________________________________
Toda la información que te interesa está en MSN Noticias. Clic aquí
http://noticias.latam.msn.com/cl

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:22:36 CST