From: Stefano Guglielmo (stefano.guglielmo_at_unito.it)
Date: Tue May 24 2016 - 15:46:21 CDT
Dear namd users,
maybe the question is not so smart, but I wonder whether NAMD (or
eventually VMD) has any tools to extract coordinates of significant
configurations from free energy surface, like the one obtained through a
metadynamics simulation, in order to characterize energy basins.
Any advice will be greatly appreciated.
-- Stefano GUGLIELMO PhD Assistant Professor of Medicinal Chemistry Department of Drug Science and Technology Via P. Giuria 9 10125 Turin, ITALY ph. +39 (0)11 6707678
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