Re: RAMD scripts version 4.1

From: Chris Harrison (char_at_ks.uiuc.edu)
Date: Fri Mar 05 2010 - 06:57:34 CST

Dear Vlad,

Thanks, the tcl8.3 compatibility should resolve many concerns. We'll update
the version in the CVS repository this coming weekend.

Best,
Chris

On Fri, Mar 5, 2010 at 3:08 AM, Vlad Cojocaru <Vlad.Cojocaru_at_h-its.org>wrote:

> Dear all,
>
> Thanks to the feed-back I got from you, I have a new version of the RAMD
> scripts (4.1)
>
> The new version is now compatible with tcl 8.3 . This was one of the major
> problems with the version 4.0 which appeared to work only with tcl 8.4. The
> code was also cleaned up. In addition, I hope the new version exits clean
> when the termination signal is sent (Francesco reported some errors on
> exit).
>
> The new version may be downloaded here:
> http://mcm.h-its.org/mcmsoft/namd
>
> One major remaining problem is that I am still not able to test the scripts
> against tcl8.5 . For some reason, all my successful compilations of NAMD
> with tcl 8.5 do not run with tclforces on. I get segmentation faults even
> when running the forces tutorials from the NAMD site.
>
> I encourage everybody which used the version 4.0 to switch to the new
> version. Please give me your feed-back if you encounter further problems.
>
> I would also like to ask the developers to replace the version in the CVS
> code with this new version.
>
> Best wishes
> Vlad
>
>
>
> --
>
>
> ----------------------------------------------------------------------------
> Dr. Vlad Cojocaru
>
> Heidelberg Institute for Theoretical Studies
> HITS gGmbH
> Molecular and Cellular Modelling Group
> Schloss-Wolfsbrunnenweg 35
> 69118 Heidelberg
>
> Tel: ++49-6221-533202
> Fax: ++49-6221-533298
>
> e-mail:Vlad.Cojocaru[at]h-its.org
>
> http://projects.villa-bosch.de/mcm/people/cojocaru/
>
>
> ----------------------------------------------------------------------------
> Amtgericht Mannheim / HRB 337446
> Managing Directors: Dr. h.c. Klaus Tschira, Prof. Dr.-Ing. Andreas Reuter
> http://www.h-its.org (http://eml-research.de)
>
> ----------------------------------------------------------------------------
>
>
>

-- 
Chris Harrison, Ph.D.
Theoretical and Computational Biophysics Group
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
char_at_ks.uiuc.edu                            Voice: 217-244-1733
http://www.ks.uiuc.edu/~char               Fax: 217-244-6078

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