[gmx-users] (no subject)
Mark.Abraham at anu.edu.au
Mon Dec 18 05:56:23 CET 2006
Sivashangari Gnanasambandam wrote:
> I am doing NPT simulation on urea - water crystal. I want to fix the
> movement of the molecules in x and y direction and allow the molecules
> to move in z direction. Would you help me to solve the problem?
Please start by looking for "freeze groups" in the manual in various
places. Be aware that the combination of such groups, NPT and
constraints is ill-advised, as you will read in the manual.
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