[gmx-developers] Ang: [gmx-developers] Fatal error: Atomtype'ºÚ?ýew*@??????Ù?' notfound!

[Mehmet Suezen]

David van der Spoel wrote:
> 
> On Thu, 7 Mar 2002, Mehmet Suezen wrote:
> 
> >Do you think " at->atomname[i] " points to someting unintented ?
> >But it more like index i is not increment properly.
> 
> You should look at the code calling this, str is wrong. If you run grompp
> -debug it will give a lot of output in grompp.log.
> 
> Groeten, David.

Dear David,

As you guess, str was not correct when calling at2type() of
src/kernel/toputils.c
from src/kernel/toppush.c. But Strange thing is pline's are different 
when one print out and compare src/kernel/topio.c where it seems pline
has two identical entries

Are there any difference in reading in mechanism depending on potential
selection, except then number of parameters?


------------------
pline in topio d_nonbond_params Si    Si      3       872362571   
15.2207     23.30022769    13.2332     0.4  18   6Si    Si      3      
872362571    15.2207     23.30022769    13.2332     0.4  18   6

    15    15 potential index
NRFP(ftype)   7
pline push_nbt   Si    Si      3       872362571    15.2207    
23.30022769    13.2332     0.4  18   6
 a0 Si
 a1 ºÚSýew*@s?????Ù?
 atype
----------------------------------
i     0 and at->nr     2 and str Si
----------------------------------
----------------------------------
i     2 and at->nr     2 and str ºÚSýew*@s?????Ù?
----------------------------------
Cleaning up temporary file /tmp/filedmkzhe
Fatal error: Atomtype 'ºÚSýew*@s?????Ù?' not found!
----------------


Thanks for any idea or comment,

Cheerz
Mehmet.