Dear Amber users:
I read that in NVE simulations, the ratio of RMS fluctuations of the potential and kinetic energies is an indication
of convergence of energy, with RMS(PE)/RMS(KE) = 0.01 indicating a satisfactory level of global energy
stabilization. Is there such a test for NTP simulations?
Thanks in advance, Sue Heavner
Received on Sat Mar 30 2002 - 15:02:16 PST
