Pretty good chinese (or asian, in general) restaurant has been added to the restaurant page – Where to eat in Langenfeld (Rhld.).
Ziemlich gutes chinesisches (oder allgemein asiatisches) Restaurant ist jetzt auf der Essen in Langenfeld (Rhld.)-Webseite verfügbar.
… bringing the total count to 21 – molecular dynamics study of the ion specific effects of sodium and potassium cations on the catalytic activity of the HIV-protease. The paper was published in Phys. Chem. Chem. Phys. and is available here.
The ‘Journal articles’ section contains the reference of the new article.
updated 15.01.2010 – another paper is now available online – “Ionic force field optimization based on single-ion and ion-pair solvation properties” in the Journal of Chemical Physics.
Langenfeld restaurant page was updated (in order to show at least some activity)… check it out – Where to eat in Langenfeld (Rhld.).
Die langenfelder Restaurantseite wurde aktualisiert (um irgendeine Aktivität zu zeigen)… schau sie an – Essen in Langenfeld (Rhld.).
Po dlouhé době nečinnosti jsem aktualizoval restaurační stránku (aspoň něco)… Kam se jít najíst v Langenfeldu (Rhld.).
Results of my main project carried out at the University of Regensburg have finally been published, increasing the number of my papers to 20. The ‘Journal articles’ section contains the reference of the new article.
The paper describes our combined molecular dynamics / Monte Carlo / HNC study of aqueous electrolytes and a new method of evaluating the thermodynamic properties of such solutions. It also includes a thorough introduction to the HNC theory and further discussion of related topics, so don’t miss it out!
Update: our paper has been selected for the November 1, 2009 issue of the Virtual Journal of Biological Physics Research.
The ‘Journal articles’ section contains the reference of our new article (most probably one of my last publications in this field) concerning thermodynamically consistent nonpolarizable force fields for molecular simulations. It’s a very nice paper, so don’t forget to check it out!
The related parts of this web presentation were modified accordingly. I just need one more paper to reach the number of 20 – it’s on its way, actually…
New restaurant guide was created after our move to Langenfeld (Rhld.), it is located on this page and is called (how unpredictable) Where to eat in Langenfeld (Rhld.) – Essen in Langenfeld (Rhld.) – Kam se jít najíst v Langenfeldu (Rhld.). The structure is slightly different than in the Regensburg page, hopefully is that change in good direction…
Ich habe nach unserem Umzug nach Langenfeld (Rhld.) eine neue Restaurantenseite eingerichtet (Where to eat in Langenfeld (Rhld.) – Essen in Langenfeld (Rhld.) – Kam se jít najíst v Langenfeldu (Rhld.)). Sie ist zwar bißchen anders strukturiert als die Regensburger Seite – hoffentlich wird die Änderung aber positiv angenommen.
Po našem přestěhování do Langenfeldu (Rhld.) jsem vytvořil novou restaurační stránku nazvanou (překvapivě) Where to eat in Langenfeld (Rhld.) – Essen in Langenfeld (Rhld.) – Kam se jít najíst v Langenfeldu (Rhld.). Struktura se liší od původního regensburského seznamu page, tak to snad je změna k lepšímu.
New (and very probably also the last) version (0.3) of my iterative solver of the Ornstein-Zernike equation – pyOZ – has been just released. More information is available on the project website http://pyoz.vrbka.net. You can access the download page directly. The code is also available through the Miscellaneous section.
Some changes had to be done to the code of the 0.2.1 release of my iterative Ornstein-Zernike equation solver pyOZ, among others to the Newton-Raphson/conjugate gradients solver which still doesn’t work as it should and was thus disabled in this version. I will now concentrate on the CG/NR stuff, so I hopefully will be able to finally come with final and working version (which would most probably be released as 0.3).
Some minor bugs were fixed as well. The handling of Python exceptions is consistent with the new versions of the language now, so you shouldn’t be getting deprecation warnings any more.
Please get the updated version on the pyOZ webpage – you can also access the download page directly.
Due to an unknown reason, part of the equations published on this website using the LatexRender plugin were damaged – minus signs were partially replaced with “8211;”. I tried to correct all occurences – if you find something that I missed, please let me know.
While doing the changes and trying to find easier way to handle them than changing all occurences per hand (there is no find-and-replace functionality built into Firefox), I found the following nifty plugin – FoxReplace for – for exactly this purpose.
First update (bugfixes, database) of the conversion utility prop_conv (conversion of concentrations, densities and osmotic coefficients of electrolyte solutions) is now available for download.
The code is available through the Miscellaneous section, or directly in the Downloads section of the pyOZ homepage.
