[gmx-users] Question about frozen group:

David Mobley dmobley at gmail.com
Wed Sep 13 17:00:23 CEST 2006

Is the difference statistically significant? That is, if you even ran
the *same* trajectory a couple times you would get slightly different
average velocities.

On 9/13/06, Jae Hyun Park <jaepark at uiuc.edu> wrote:
> 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.
> 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
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