[gmx-users] COM motion removal

Janne Hirvi janne.hirvi at joensuu.fi
Tue Jul 4 15:45:09 CEST 2006

Hello gmx-users!

I have one question about the center of mass motion removal. If I use for
example 'nstcomm = 100' do I remove the net momemtum by rescaling the
velocities (or by some other method?) after every 100 time steps and the center
of mass can still move during other time steps but I reset the development of
net momentum for a while?

Thanks for any comments in advance! 


Janne Hirvi, MSc(Physical Chemistry), Researcher
University of Joensuu, Department of Chemistry, P.O.Box 111 80101 Joensuu, FI
Tel: +358 13 2514544 & +358 50 3474223
E-mail: Janne.Hirvi at joensuu.fi & hirvi at cc.joensuu.fi

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