[gmx-developers] Grand canonical monte carlo simulations using Grompy

Marcello marcellomarin22 at gmail.com
Sat Jan 25 00:07:17 CET 2014

Dear all 

I want to know how useful is the Grompy code for performing monte carlo
simulations. Could you please tell me if this interface works well with high
number of particles.  In fact, I want to simulate the adsorption of methane
by a MWCNT and plot the adsorption isotherm. I am familiar with gromacs but
when coming to Grompy I don't know where to start the simulation from. I
will be really happy if you can help and guide me with this. 

Thanks in advance 

https://github.com/GromPy/GromPy <https://github.com/GromPy/GromPy>  

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