[gmx-users] is the D G sol of g_sas useless? why?

Felipe Villanelo el.maestrox at gmail.com
Thu Aug 27 01:31:30 CEST 2009

Hi gmxs,

I'm trying to compute a aproximated D G of binding between two proteins
using a termodynamic cycle, and the D Gsol calculated with g_sas (from 10 ns
dynamics for every situation)
But I had read here, that the value this way calculated is useless.... why?

Waiting for answer


Felipe Villanelo Lizana
Laboratorio de Biología Estructural y Molecular
Universidad de Chile
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