[gmx-users] removal of COM

Sun Joo Lee sunnytov at gmail.com
Thu Mar 12 20:38:40 CET 2009

Hello Users

I am trying to measure the drift of molecules in the system.
When I ran the simulation,  the removal of center-of-mass of the whole  
system took place at every step.

 From the mailing list, I've found that removal of COM works by making  
the velocity of the COM to be zero by subtracting the velocity from  
every particle velocity.

It would be very grateful if you can help me to make two points clear;

1) Would the magnitude to be subtracted  from every particle velocity   
be the same (or different depending on the mass of the particle)?

2) Could removal of COM make one type of molecule move in an opposite  
direction of the other molecules that move in one direction to keep  
maintain the COM of the system at its original position?

Thank you in advance

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