Congratulations to the lab NSERC winner

Congratulations to Myong Oh on his NSERC graduate award!

Congratulations to the lab SOUSCC winners

Falana Sheriff,
Interactions of Macromolecular Complexes in Charged Aqueous Nanodrops;
First Prize in the Physical Chemistry Session of Southern Ontario Undergraduate Student Chemistry Conference-SOUSCC-University of Windsor, March 2014

Filipe De Souza,
Effect of Charge Distribution on the Stability of Droplets;
Second Prize in the Analytical Chemistry Session of Southern Ontario Undergraduate Student Chemistry Conference-SOUSCC-University of Windsor, March 2014

Manifestations of Charge Induced Instability in Droplets Effected by Charged Macromolecules

Phys. Rev. Lett. 109, 148301 (2012)

Nanopores

Edit PDF files

Convert a batch of files to PDF

libreoffice --headless --convert-to pdf *.ppt --outdir PDF

Edit PDF files to rearrange pages

apt-get install pdfmod
pdfmod

To convert few files from svg to png

for name in *.svg
do
inkscape --export-area-page -z --export-background="white" --export-png=${name/%svg/png} $name
done

Adding content to site

Adding a figure with uniform style

<div class="figure"> 
   <img src="figure.png"/>
Topics: 

Release Mechanisms of Poly(ethylene glycol) Macroions from Aqueous Charged Nanodroplets

Jun Kyung Chung and Styliani Consta* Department of Chemistry, The University of Western Ontario, London, Ontario, Canada N6A 5B7 J. Phys. Chem. B, 2012, 116 (19), pp 5777–5785

Mechanisms of Phase Transformations of TiO2 Nanotubes and Nanorods

Andrei Buin, Styliani Consta*, and Tsun-Kong Sham
Department of Chemistry, The University of Western Ontario, London, Ontario, Canada N6A 5B7
J. Phys. Chem. C, 2011, 115 (45), pp 22257–22264

Submitting jobs on the theory cluster

Job Submission

To submit a 4 processor job on the cluster run the following command

qsub -N jobname -pe openmpi 4 submit_gromacs.bash

where submit_gromacs.bash is the following file in your work directory

Molecular modelling tutorial

A live debian system could be installed onto a memory key. Please, provide me with a key and I 'll burn a copy for you. Booting from the memory key you can make few runs without modifying your computer or installing additional software. Otherwise check www.gromacs.org and install Gromacs on your computer.

In the home directory of the default user styliani you can find an example of MD run using Gromacs package.

Open a terminal window.

~$ cd teaching

Files in the example directory

Pages

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