VMD-L Mailing List

From: Maximilian Ebert (mebert_at_chemcomp.com)
Date: Mon Jul 13 2020 - 22:08:50 CDT

This is what I thought but how do you average the end when windows are running low? Like window 10 and then the last 5 frames? Do you average at the end over less windows?

Thanks
Max

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Maximilian Ebert
Application Scientist
Chemical Computing Group | www.chemcomp.com mebert_at_chemcomp.com | +1 (514) 393-1055 For support inquiries: support_at_chemcomp.com

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> On Jul 13, 2020, at 11:06 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:
>
> It is simply computing windowed averages of the positions.
>
> You can tell from how molecules are shrinking when they rotate.
>
>
> Axel.
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com <mailto:akohlmey_at_gmail.com> http://goo.gl/1wk0 <http://goo.gl/1wk0>
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste, Italy
>
> On Mon, Jul 13, 2020, 22:24 Maximilian Ebert <mebert_at_chemcomp.com <mailto:mebert_at_chemcomp.com>> wrote:
> Dear list,
>
> I am wondering which algorithm VMD uses for trajectory smoothing. Did you publish on that particular method or is it an existing method? I really like the start and end animation with a large window size. Looks super smooth--Apple-Mail=_2B19108E-FCBD-4414-80B4-80B053E9936C--