VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Dec 07 2011 - 10:48:47 CST

On Tue, Dec 6, 2011 at 11:30 AM, Dudo <dudomail_at_gmail.com> wrote:

> ask Siri

not so sure about that one. using siri can get pretty ugly:

http://www.collegehumor.com/video/6648229/siri-argument

axel.

>
>
> On Tue, Dec 6, 2011 at 4:45 PM, David Cohen-Tanugi <dctanugi_at_mit.edu>wrote:
>
>> Dear All,
>>
>> Does anybody have a script for calculating the angular distribution
>> function of molecules in a VMD trajectory?
>>
>> Angular distribution functions are used to map the average angular
>> orientation of a molecule (e.g. water) relative to a planar surface as a
>> function of spatial position. They are used in papers such as here<http://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=4&ved=0CEEQFjAD&url=http%3A%2F%2Fmingus.sci.ccny.cuny.edu%2F10-JChemPhys_105_4294.pdf&ei=5jfeTv2ZLunC2wXU9sj1BA&usg=AFQjCNFctkGhXHt-LXZV9KcAYeBkWQEf1g&sig2=3W3cL0Zx2WxncK5OWDxk5A>,
>> here <http://mm.seas.upenn.edu/ql/www/reference/ORR/Izvekov01b.pdf> and
>> here <http://zeppola.mit.edu/pubs/034-JPhysChemB-108-15865-2004.pdf>.
>>
>> Many thanks!
>> David
>>
>> David Cohen-Tanugi | Ph.D. Candidate | Jeffrey C. Grossman Group |
>> Massachusetts Institute of Technology | Department of Materials Science &
>> Engineering | 609-902-6850 | dctanugi_at_mit.edu | www.mit.edu/~dctanugi/
>>
>
>
>
> --
> ____________________
> Ing. Dusan Racko, PhD
> Polymer Institute of the Slovak Academy of Sciences
> Dubravska cesta 3
> 845 41 Bratislava, Slovak Republic
> tel: +421 2 3229 4321
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science and Technology
Temple University, Philadelphia PA, USA.