[MMTK] problems with molecular dynamics

Pawel Kedzierski kedziers@pkmk486.ch.pwr.wroc.pl
Wed, 13 Nov 2002 12:38:55 +0100


  Unfortunately I can't investigate it further, I only remember the problem
which happend some time ago. IIRC, it was with Python 2.0.

  Pawel

On Tue, Nov 12, 2002 at 08:52:39PM +0100, Konrad Hinsen wrote:
> >   One of my students confirmed this for Linux too. Two out of four
> >   examples for normal mode analysis crash if NetCDF is not available,
> >   although You indeed _can_ install Scientific and MMTK without NetCDF.
> >   IIRC, these that crash were constrained_modes.py and modes.py .
> 
> That is very weird... You can indeed install Scientific Python without
> NetCDF, it simply leaves out the NetCDF module. But then the MMTK
> installation should fail because the file netcdf.h cannot be found.
> 
> If you have netcdf.h but not the associated library (libnetcdf.so or
> libnetcdf.a), then you can install everything and have it crash at
> runtime.
> 
> Konrad.
> -- 

-- 
--> email: P.Kedzierski@mml.ch.pwr.wroc.pl
    Molecular Modelling Laboratory
    Institute of Physical and Theoretical Chemistry I-30
    Wroclaw University of Technology
    Wroclaw, POLAND