Re: NAMD Anisotropic pressure control

From: Fotis Baltoumas (
Date: Fri Sep 18 2015 - 09:50:14 CDT


Try the following settings (usually applied to membrane simulations, don't
know if they suit you unless you tell us more about your system):

useFlexibleCell yes ;# (permits anisotropic fluctuations during pressure

useConstantRatio yes ;#(The X-Y ratio remains constant, while the Z-axis
is left free to fluctuate)

useConstantArea no ;# (When constant ratio is set to yes, Constant Area
must be No)

And of course, the manual is your friend. Use it:


> Dear NAMD users,
> I would like to stretch my system using anisotropic pressure control. As I
> know, using useConstantArea the pressure just be controlled in the z
> direction. However, the values of Pxx and Pyy remain uncontrolled and
> increase during the simulation. Is there any way to control Pxx and Pyy in
> 1 bar, while increasing the value of  Pzz.
> Any help is appreciated in advance,
> Mahdi Tavakol

Fotis A. Baltoumas
Phd Candidate, Bioinformatics Postgraduate Programme
Department of Cell Biology and Biophysics
Faculty of Biology, University of Athens
Panepistimiopolis, Athens 157 01, GREECE
email :

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