AMBER: Lennard-Jones particle simulation

From: Guanglei Cui <>
Date: Wed, 25 Aug 2004 15:38:57 -0400

Dear all,

Can anyone suggest me a good way to equilibrate a box of Lennard-Jones
particles at 300K and 1atm starting with certain lattice conformation? I
tried minimization and a long NVT MD. But as long as I switched to NPT,
the system just blew up after some picoseconds. Thanks.


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Received on Thu Sep 02 2004 - 01:15:11 PDT
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