[gmx-users] Coordinate file does not match topology

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jun 8 04:48:28 CEST 2007


Sheyore Omovie wrote:
> Dear gromacs users,
> While trying to preprocess my files with grompp, i got the ff error 
> message:
> "Number of coordinates in coordinate file (b4em.gro, 2312) does not 
> match topology (twopolypeptide.top, 2291)"
> How can I fix this?

Make them match. Assuming you haven't managed a gross mismatch of files, 
your [molecules] section of your .top probably isn't right. Chapter five 
of the manual is your friend here.

Mark



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