[gmx-users] ngmx: Segmentation fault

[Albert Sun]

Dear David van der Spoel,
I am testing a simple case, and prepared top and gro files as attached, when I ran EM.mdp and 9atom.mdp, and see ngmx, it has the error: segmentation fault.
(em.mdp file is attached in another email)
Could you help me to have a look?
 
Thanks !      

Albert

David van der Spoel <spoel at xray.bmc.uu.se> wrote:
On Tue, 2003-08-26 at 23:32, Albert Sun wrote:
> Dear Users,
> 
> When I ran ngmx, it had error: 
> 

you give very little information. Could it be that the tpr does not
match the trajectory (in particular the tpr has not the same number of
atoms as the traj)

> " 
> 
> Reading file pul1.tpr, VERSION 3.1.2 (single precision)
> 
> trn version: GMX_trn_file
> 
> Reading frame 0 time 0.000 Opening library file
> /usr/local/gromacs/share/top/aminoacids.dat
> 
> Opening library file /usr/local/gromacs/share/top/export.dlg
> 
> Opening library file /usr/local/gromacs/share/top/bonds.dlg
> 
> Segmentation fault "
> 
> 
> Could you advise me how to solve the problem?
> 
> Thanks!
> 
> Albert
> 
> 
> 
> ______________________________________________________________________
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Dept. of Cell & Mol. Biology
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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