From: Himanshu Khandelia (hkhandel_at_dtc.umn.edu)
Date: Thu Mar 09 2006 - 10:26:55 CST
I was trying to equilibrate a simulation with a smaller time step, and
then use a larger time step to run it, in the same config file. So I used
something like this:
# equlibration etc...
# dynamics etc ...
However, NAMD did not allow me to reset the timestep. How does one work
around this ? Thanks for the inputs !
Department of Chemical Engineering and Materials Science,
University of Minnesota
499, Walter Library,
117, Pleasant St. SE,
Minneapolis, MN 55455
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:22 CST