[gmx-users] Hard Sphere?

nishap.patel at utoronto.ca nishap.patel at utoronto.ca
Thu Apr 29 17:18:57 CEST 2010


    I am not sure if anyone else has some experience with this, but I  
want to simulate a hard sphere in a solvent (water and heptane). I  
believe for the hard spheres, the attractive terms for LJ potential is  
very negligible so the only term to take into account is repulsion,  
from what I understand. Is there a way I can define hard sphere in  

I would really appreciate some kind of direction.


-Nisha P

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