[gmx-users] remove cemter of mass motion in particular direction

Mikhail Stukan mstukan at slb.com
Mon Nov 24 09:09:14 CET 2014

Dear Gromacs experts,

Does anyone know if there is a way to remove center of mass motion in particular direction(s) only? Actually, I would like to remove system COM movements in X and Y directions only, while letting the system  move as it likes in Z direction. As far as I can understand simple  comm_mode=Linear applies the rule in all three dimentions.

Many thanks in advance,

Mikhail Stukan, Ph.D.
Senior Research Scientist
Schlumberger Dhahran Carbonate Research Center
Dhahran Techno Valley - KFUPM
P.O. Box 39011, Dammam/Doha Camp 31942
Kingdom of Saudi Arabia
Tel:  +966 3 331 6182
Fax: +966 3 330 0845
mstukan at slb.com<mailto:mstukan at slb.com>

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