Re: FATAL ERROR: Sorry, combined TI and FEP is not implemented

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Thu Jul 09 2009 - 03:22:44 CDT

Hi Chris,

I have just downloaded a fresh CVS code .. Could you tell me what has
been changed in order to fix the bug about "FEP and TI" ? I don't see
any modification done after 2nd of July ...

Cheers
Vlad

Chris Harrison wrote:
> Vlad,
>
> Thanks for letting us know of this bug. This should be fixed now.
> Please check out a fresh copy of the CVS and let me know if you still
> experience problems.
>
> Thanks,
> Chris
>
>
> --
> 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 <mailto: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
>
>
>
> On Wed, Jul 8, 2009 at 5:41 AM, Vlad Cojocaru
> <Vlad.Cojocaru_at_eml-r.villa-bosch.de
> <mailto:Vlad.Cojocaru_at_eml-r.villa-bosch.de>> wrote:
>
> Dear NAMD users,
>
> With namd2.7b1 (cvs code downloaded 01.07), I sometimes get the
> error "FATAL ERROR: Sorry, combined TI and FEP is not implemented"
> although I am not trying to do neither TI nor FEp. I am doing a
> standard MD ..
> Is this a bug ??
>
> The same job runs though OK if I rerun without modifying anything
>
> Best wishes
> Vlad
>
> --
> ----------------------------------------------------------------------------
> Dr. Vlad Cojocaru
>
> EML Research gGmbH
> Schloss-Wolfsbrunnenweg 33
> 69118 Heidelberg
>
> Tel: ++49-6221-533202
> Fax: ++49-6221-533298
>
> e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
> <http://eml-r.villa-bosch.de>
>
> http://projects.villa-bosch.de/mcm/people/cojocaru/
>
> ----------------------------------------------------------------------------
> EML Research gGmbH
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> Managing Partner: Dr. h.c. Klaus Tschira
> Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
> http://www.eml-r.org
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>
>
>

-- 
----------------------------------------------------------------------------
Dr. Vlad Cojocaru
EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg
Tel: ++49-6221-533202
Fax: ++49-6221-533298
e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de
http://projects.villa-bosch.de/mcm/people/cojocaru/
----------------------------------------------------------------------------
EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
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