[gmx-users] topology doesnt match

Robert Selwyne Robert.Selwyne at mpikg.mpg.de
Mon Apr 2 16:40:21 CEST 2007

Dear GMX users
When i tried to rum grompp i get these errors. Would any one be able to
sort out this problem?
grompp -v -f adp.mdp -po adpmdout.mdp -c genbox.gro -p genbox.top -o

creating statusfile for 1 node...

Back Off! I just backed up adpmdout.mdp to ./#adpmdout.mdp.1#
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 279 of the 1225 non-bonded parameter combinations
Excluding 3 bonded neighbours for Protein 1
WARNING 1 [file "genbox.top", line 283]:
  System has non-zero total charge: -3.000000e+00

processing coordinates...
Fatal error: number of coordinates in coordinate file (genbox.gro, 3516)
             does not match topology (genbox.top, 33)

More information about the gromacs.org_gmx-users mailing list