[gmx-users] LJ fluid

Argyrios Karatrantos axk47 at psu.edu
Sun Nov 5 14:13:28 CET 2006

HI gromacs users, 

in order to simulate Argon fluid i use epsilon=m=sigma=1, so the parameters for the LJ are 4.000  4.000
the question is what reduced time step (t*) is appropriate for MD, what coupling methods for temperature and pressure and what the value for nrexcl for the Ar atoms

thanks in advance
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