[MMTK] Re: Minimization in MMTK2.2b6

[Konrad Hinsen]

> concerning the minimization with fixed atoms, I am wondering about one
> thing. In the Python part of the code "fixed" is an array consisting of
> integers. In the C part of the code, it seems to be an array of
> characters, because of (line 146 and 332)
> 
> fix = (char *)fixed->data;

That reads

   fix = (long *)fixed->data;

in my version, as it should. In fact, that is the bug that I mentioned
earlier, which was fixed a few versions ago.

What is the date listed at the top of your version of MMTK_minimization.c?
Mine is 2000-6-12.

Konrad.
-- 
-------------------------------------------------------------------------------
Konrad Hinsen                            | E-Mail: hinsen@cnrs-orleans.fr
Centre de Biophysique Moleculaire (CNRS) | Tel.: +33-2.38.25.56.24
Rue Charles Sadron                       | Fax:  +33-2.38.63.15.17
45071 Orleans Cedex 2                    | Deutsch/Esperanto/English/
France                                   | Nederlands/Francais
-------------------------------------------------------------------------------