[gmx-users] Question about center-of-mass removal

[Jae Hyun Park]

Dear all;

I have very simple question about center-of-mass removal,
which would be very easy for the expert like you.
When we dealing with the system whose center-of-mass is moving
(e.g. initially the fluid is at one side, and as time goes on,
it spreads to other direction), do we still have to remove the
center-of-mass motion (e.g. nstcomm = 1) ?

Thank you in advance for your kind consideration.

Jae H. Park


 
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Jae Hyun Park, Ph.D.
Postdoctoral Associate
3221 Beckamn Institute
University of Illinois at Urbana-Champaign
405 North Mathews Avenue
Urbana, IL 61801
(Tel) 217-244-4353, (FAX) 217-244-4333
(E-mail) jaepark at uiuc.edu