Subject: QM/MM and Multiple Time Scale MD

From: [email-masked] (Howard Alper)
Date: Thu, 21 Nov 1996 13:06:00 -0800

Hello,

  A few days ago I posted to the list concerning the use of the combined
QM/MM forcefield (I will summarize in a few days).  But for now I have
another, related, question.

  I could have sworn that I came across an article in which the Car-Parinello
QM/MM method was being combined with multiple time scale integrators (RESPA,
I assume).  Does anyone know the reference for this article?  It should
be relatively recent (1996, I think.)  Thanks in advance for any help.

  Howard

-- 

  Dr. Howard Alper
  Moldyn Inc.
  955 Massachusetts Avenue
  Fifth Floor
  Cambridge, MA 02139-3180
  617-354-3124 x19
  email: [email-masked]

- helping molecules find happiness for over a 10th of a century.