Abolfazl Noorjahan

3 Questions 38 Answers 0 Followers

Questions related from Abolfazl Noorjahan

GROMACS Test Particle Insertion: How can I interpret the output files?

I recently tried GROMACS tpi module to calculate Henry's law constant for a couple of molecules in Poly(ethylene). As I found a great inconsistency between my results and those reported before, I...

20 January 2015 2,337 1 View

Has anyone recently successfully compiled the Bader's program for AIM analysis on Linux?

I am struggling with AIM analysis in G09 and got some advice on how to use Bader's original code. As far my search on the web, the only FORTRAN compiler that works with the code is the expensive...

10 April 2014 3,918 2 View

Have you seen any publication on estimation of Flory-Huggins interaction parameters for polymer/solvent systems by molecular dynamic simulation?

The method is well established and there are many books and articles on how such calculations should be conducted. But all I can find is works on polymer blends or polymer/drug conjugates and...

10 January 2014 5,954 5 View