[MMTK] is MMTK a superset of MDTools?

Konrad Hinsen hinsen@cnrs-orleans.fr
Tue, 15 Jun 1999 18:43:42 +0200

> > Judging from the feature list that you posted, the only
> > MDTools feature missing in MMTK is reading PSF files and NAMD
> > output files.
> The PSF files aren't too hard, except for figuring out how
> the exclusion terms work.  The NAMD output trajectory file

The hard part would be to use the data from a PSF file for something
useful. The internal model of molecules in MMTK and X-Plor is very
different. Anyway, no one asked for such a feature until now :-)

Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-
Rue Charles Sadron                       | Fax:  +33-
45071 Orleans Cedex 2                    | Deutsch/Esperanto/English/
France                                   | Nederlands/Francais