How the seed influences the molecular dynamics simulations?

From: Agostino (
Date: Wed Sep 23 2009 - 04:15:26 CDT

Dear all,

I want submit you some questions about the Temperature Control and
Equilibration, the seed number and Langevin Dynamics.

I performed several MD simulations in NPT ensemble (NosŤ-Hoover method
coupled with langevin dynamics). Each MD simulations was checked every 1ns
of simulation, and then was restarted. In a log file tourned out by namd I
saw that for each restart namd generates a new seed. My questions are:


1. What is the influence of seed on a simulation?
2. Using Langevin Dynamic as thermostat and NosŤ-Hoover like barostat I
performed a Langevin Dynamics with stochastic condition at periodic boundary





This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:18 CST