Programs for Grand Canonical Monte Carlo

[Mikhail_V]

Hi all,
I need to perform Grand Canonical Monte Carlo simulation. Does anybody knows any of this?

I used Music (http://www.iec.northwestern.edu/software.php), but It cannot create Potential Map for my very large MOF.

 

[chemaddict]

In my work, we use an in-house developed code for various ensembles, but I was told that LAMMPS http://lammps.sandia.gov" was working on supporting the grand-canonical a little while back. I haven't used LAMMPS personally, but it is highly parallelizable (sp?) and is among the better (albeit not great) documented codes. Worth checking out.

I also came across Towheehttp://towhee.sourceforge.net/" that might suit your needs, but I know almost nothing about it.