Sivashangari Gnanasambandam wrote:
Hi,
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.
Mark
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