[MMTK] MMTK 2.0 minimization benchmarks or comparisons?

Randy M. Wadkins rwadkin@jhmi.edu
Mon, 6 Dec 1999 17:18:22 -0500

Hi All:
Just wondering: has anyone compared the speed of the conjugate gradients
minimization within MMTK 2.0 to other software packages such as Amber, Charmm,
etc.?  While the steepest descent algorithm is reasonably fast in MMTK, the
conjugate gradients algorithm seems very slow--I'm guesstimating about 10- to
100-times slower than steepest descent.  I would be interested in knowing how
other packages rate with regard to speed using a conjugated gradients or similar


Randy M. Wadkins, Ph.D.
Assistant Professor
Johns Hopkins Oncology Center
600 N. Wolfe St.
Baltimore, MD  21205

Phone: (410)-955-8368
Fax: (410)-502-5499
E-mail: rwadkin@jhmi.edu