langevinDamping

From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Fri Nov 14 2008 - 20:45:10 CST

Dear all,
how to choose damping coefficient for Langevin dynamics.
In three articles which used NAMD i found the following values 1, 5
and 10 ps-1. Is there any guidance how to choose it? I am simulating
peptides 20-30 residues long in water box with PBC with langevin
barostat and thermostat.

-- 
Roman Petrenko.
Physics Department
University of Cincinnati

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:50:06 CST