[MMTK] is MMTK a superset of MDTools?

Eugene Leitl eugene.leitl@lrz.uni-muenchen.de
Tue, 15 Jun 1999 12:36:33 -0700 (PDT)


Andrew Dalke writes:
 > Eugene Leitl <eugene.leitl@lrz.uni-muenchen.de> said:
 > > Alternatively, a parallel CHARMm force field engine would be
 > > a fantastic thing to have.
 > 
 > You could always start with NAMD; source code is available! :)

Well, yes, EGO's ( http://www.lrz-muenchen.de/~heller/ego/index.html )
source is that, too. (EGO was purportedly much faster than NAMD,
interesting whether this is still true with NAMD2). But woefully, 
my programming skills are yet insufficient for that. And I've got 
real (wet/synthetic) lab work to attend to.