[gmx-users] grompp error

[Tsjerk Wassenaar]

Hi Supti,

> ------------------------------
>
>  Program grompp_d, VERSION 4.0
> Source code file: grompp.c, line: 352
>
> Fatal error:
> number of coordinates in coordinate file (file_b4em.gro, 46634)
>              does not match topology (file.top, 9977)
> -------------------------

It's just what it says. There's a mismatch between the numbers of
atoms. Either your .top file wasn't updated after genbox to include
the solvent, or the way the solvent was included was not correct. But
you'd probably have a different error then. Check the lines beneath
the [ molecules ] section (under [ system ]) at the end of the .top
file.

Cheers,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623