I have used roar to simulate the dynamics of a peptide
in NPT conditions. I obtained as result a standard deviation
of total energy around 10^-1. Is it possible?
I was expecting a conservation energy with a standard deviation
about 10^-4.
I thank you in advance for your carfully attention and help,
Valeria Costa
Received on Thu Dec 09 1999 - 10:02:17 PST
