[gmx-users] frozen group in pressure coupling

qiao rui ruiqiao at glsn12.ews.uiuc.edu
Wed Mar 3 17:19:01 CET 2004

Hi, there:

	I am wondering if anyone could give me some hints on the following
	1. In pressure coupling, does one update the position of the
frozen group? The manual says that the coordinate of every atom will be
scaled, but from the simulation results, it seems that the frozen group is
not scaled. Am I making some mistakes here?

	2. I couple the xx-direction pressure to one bar, and getting the
huge numbers of pressure in other directions, is this OK?



Rui Qiao
Research Assistant
Beckman Institute, UIUC

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