AMBER Archive (2003)

Subject: Re: pressure variation control

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Fri Mar 07 2003 - 12:20:38 CST

  Hi
  Thanks for the reply. The rms for the pressure is about 170. And the
pressure itsselft goes from -500 to 500. I looked already a long time
ago at that FAQ and there they say if "the majority of values in between
-100 and 100" should be ok. Well in my case its difficult to say that
the majority of values are in that range. I would say that my values are
predominantly between -200 and 200.
  This is with taup =2.0. If I lower the value of taup the rms for
pressure decreases and the variation is smaller.
Thanks again,
vlad