AMBER Archive (1999)

Subject: question

From: Valeria Costa (costa_at_sissa.it)
Date: Thu Dec 09 1999 - 12:02:17 CST

 
 
 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