VMD-L Mailing List

From: conor parks (coparks2012_at_gmail.com)
Date: Sat Dec 12 2015 - 17:01:42 CST

I don't have a script, but the code is available open source in C I
believe:
https://homepage.univie.ac.at/wolfgang.lechner/bondorderparameter.html

Regards,

Conor Parks
B.S.E in Chemical Engineering, University of Michigan, 2012
PhD candidate in Chemical Engineering, Purdue University

On Sat, Dec 12, 2015 at 2:04 PM, MannyEful E <mannyeful_at_gmail.com> wrote:

> Hi All,
>
> Just wondering if anyone out there has made a script that calculates the
> Steinhardt order parameters of molecules? (Q6/Q4) Or a clustering algorithm
> that can be used to monitor growth of a crystal over time. It would be so
> very helpful if you havel! ;)
>
> Thanks in advanced.
>
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