zcwang wrote:
Hi all
I would like to know how gromacs remove center of mass motion?
The COM velocity is the rate of change of the position of the COM, i.e.
the mass-weighted average velocity of the particles. If you subtract
that from each particle velocity, the COM velocity becomes zero.
Likewise for angular motion, if applicable.
I thought it still allowed center of mass motion, but just did a
transformation of the coordinates at a certain frequency.
I've never heard of GROMACS doing anything like that for this purpose.
It's just like looking at the system in a noninertial system attached to
the COM of the group.
Is that right?
I don't know what you mean.
Mark
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