[gmx-users] Question about frozen group:
Jae Hyun Park
jaepark at uiuc.edu
Wed Sep 13 12:48:21 CEST 2006
Hi, all GROMACS users:
I have a simple question about frozen groups. My simulation system contains a frozen group and several non-frozen groups. Now, I'm testing the effects of mass of frozen atom on non-frozen group dynamics. I compared two simulations - In one case, the frozen atom has finite-mass while in the other, the frozen atom has zero-mass. In both cases, the averaged velocities of non-frozen groups are different.
Could anybody explain this happening? I would deeply appreciate any comment.
Jae H. Park
Jae Hyun Park, Ph.D.
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
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