recommended vs. default values

From: Jake Isaacs <rjisaa0_at_pop.uky.edu>
Date: Mon 05 Mar 2001 16:22:43 -0500

I've noticed that for some sander parameters such as taup, the default value
(0.2 ps) is outside the recommended range (1 - 5 ps). Why is this and what
should I base my choice of taup and tautp on?

  .-. .-. .-. .-. .------------------------. .-. .-. .-. .-.
 /|||X|||\ /|||X|||\ / Jake Isaacs \ /|||X|||\ /|||X|||\
X|||/ \|||X|||/ \|||X Department of Molecular X|||/ \|||X|||/ \|||X
 `-' `-' `-' `-' \ & Cellular Biochemistry / `-' `-' `-' `-'
 .-. .-. .-. .-. / University of Kentucky \ .-. .-. .-. .-.
X|||\ /|||X|||\ /|||X 800 Rose St. X|||\ /|||X|||\ /|||X
 \|||X|||/ \|||X|||/ \ Lexington, KY 40536-0084 / \|||X|||/ \|||X|||/
  `-' `-' `-' `-' `------------------------' `-' `-' `-' `-'
Received on Mon Mar 05 2001 - 13:22:43 PST
Custom Search