Re: [gmx-users] removal of COM

2009-03-12 Thread Mark Abraham
Sun Joo Lee wrote: 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 t

[gmx-users] removal of COM

2009-03-12 Thread Sun Joo Lee
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 subtra