From: Maxim Igaev (maxim.igaev_at_Biologie.Uni-Osnabrueck.DE)
Date: Wed Nov 26 2014 - 02:48:51 CST
Dear NAMD users,
I'd like to perform anisotropic pressure control simulations to
stretch/compress my system using the protocol published by Luan and
Aksimentiev (Phys. Rev. Lett., 2008). Although I understand the theory
behind it (Martyna et al., 1994), I haven't found any information on
how to do this technically in the NAMD config file. Am I overlooking
something? The standard Nose-Hoover Langevin piston pressure control
allows one to only control the total pressure, but not single
components of the pressure tensor.
I would appreciate any help!
Maxim Igaev, M.Sc.
Department of Neurobiology
University of Osnabrueck
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