[gmx-users] NVE simulations

Sidney Elmer sidnasty at stanford.edu
Mon Jul 8 21:16:30 CEST 2002


I have a question about the pure MD (constant NVE) application.
Whenever I try to run my system at constant Energy, the system always
cools down to zero temperature.  Instead of being a constant energy
simulation, it appears rather that it is a variant of an energy
minimization.  Has anyone else had this happen to them? or is there
something that I am missing in my parameter file?  Thanks.


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