[gmx-users] Fatal error: Bond atom type names can't be single digits

Erik Lindahl lindahl at sbc.su.se
Fri Oct 7 12:57:39 CEST 2005


This _might_ be related to recent changes we did to incorporate the  
atomic number (necessary for QM/MM), which is a new optional field.

I assume you are using the release-3-3-patches branch, and I cannot  
reproduce it there.

I would strongly recommend against using the HEAD branch of CVS,  
since that will destabilize significantly in the near future.  
Basically, if you use the HEAD CVS branch for production results  
you're on your own :-)

Can't reproduce the error in release-3-3-patches, though. You'll need  
to provide us with much more information:

1. Exact date and version of the CVS code.
2. Machine architecture, CPU, operating system, and preferrably  
compiler version.
3. The exact commands you are seeing.
4. At least the last couple of lines of output.



On Oct 7, 2005, at 11:34 AM, Fabrizio Mancinelli wrote:

> I tried to launch grompp (last cvs version, compiled in double  
> precision).
> Force field is the usual GROMOS96 43a1.
> Does anybody know what that message means?
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