Re: Re: RAMD scripts version 4.1

From: Shulin Zhuang (shulin.zhuang_at_gmail.com)
Date: Fri Mar 05 2010 - 11:43:01 CST

Hi, Chris,

Acutually, the tcl8.3 compiled namd does not work for RMAD4.0, I have tried
so many times, all failed and I also discussed with Vlad about it. However,
the tcl8.5 compiled namd does not work neither.
Shulin

On Fri, Mar 5, 2010 at 4:57 AM, Chris Harrison <char_at_ks.uiuc.edu> wrote:

> 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 <http://www.ks.uiuc.edu/%7Echar>
> Fax: 217-244-6078
>
>

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