[gmx-users] gmx v3.1 vs v3.2

[David]

On Tue, 2005-04-26 at 15:51 -0230, Derrick Guang Yuh Lee wrote:
> Dear Gmx-Users,
> 
> I was curious if anyone would be able to explain a little problem I am
> having between two versions of GROMACS; on one computer I am running v3.14
> and on the other one, I am running v3.2. So,  when I run, for example, an
> energy minimzation of a particular lipid simulation on the computer with
> v3.14, it works fine, but when I run the exact same files on the computer
> w/ v3.2, i get:
can you be more specific? Is this the same tpr file, or the same input
files for grompp? In the latter case I would advise you to compare the
tpr files from 314 to 321 using gmxcheck.

> 
> -------------------------------------------------------------
> Steepest Descents:
>    Tolerance (Fmax)   =  	value
>    Number of steps    =         value
> Segmentation fault
> -------------------------------------------------------------
> 
> If anyone can clear this one up it would be most appreciated. Thanks.
> 
> 
> 
> Sincerely
> 
>  - Derrick Lee
> 
> 
>  Derrick Guang Yuh Lee
>  Department of Mathematics and Statistics / Department of Biochemistry
>  Memorial University of Newfoundland
>  k24dgyl at mun.ca / derrickglee at hotmail.com
> 
> "a teacher is never a giver of truth - he is a guide, a pointer to the
> truth that each student must find for himself. a good teacher is merely a
> catalyst."
>                                                               - bruce lee
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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