[gmx-users] grompp error

Senthil Kandasamy senthilk at engin.umich.edu
Thu Mar 28 01:50:56 CET 2002


I tried grompp -f dppc64.mdp -o dppc64.tpr -c dppc64.gro -p dppc64.top
and I got

Back Off! I just backed up mdout.mdp to #mdout.mdp#
Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
checking input for internal consistency...
calling /lib/cpp...
processing topology...
WARNING 1 [file "lipid.itp", line 9]:
  Found another defaults entry, will use the last one
WARNING 2 [file "dppc64.top", line 9]:
  Invalid directive molecule
processing coordinates...
Fatal error: number of coordinates in coordinate file (dppc64.gro,
             does not match topology (dppc64.top, 0)

my dppc64.top looks like

; dppc64 topology file
#include "ffgmx.itp"
#include "lipid.itp"
#include "dppc.itp"
#include "spc.itp"


dppc in water
dppc    64
sol     3846

what is the source of this error? what should I fix?

Thanks in advance


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