[gmx-users] maxwell distribution in NVT ensemble
gianluca.santarossa at unimib.it
Tue Aug 31 12:36:34 CEST 2004
Dear Gromacs users,
I made a simulation in NVT ensemble, and I was analyzing it looking for convergence.
I'm in trouble with energy analisys: how can I assume that energy distribution is right, according with canonical ensemble?
Energy distribution should be a maxwellian, but how can I find it out using gromacs tools?
Are there any other characteristics regarding energy I can look at?
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