FES analysis

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.

With regards


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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