AMBER Archive (2004)

Subject: AMBER: Lennard-Jones particle simulation

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Wed Aug 25 2004 - 14:38:57 CDT

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.

Guanglei

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