[gmx-users] Speptide position restraint

Seonah Kim kim at qtp.ufl.edu
Mon Jun 21 17:08:20 CEST 2004

Dear All,

I'm having some problem about the position restraint.

I tried to run speptide example from Gromacs package.

When I typed
Prompt>grompp -f pr.mdp -c speptide.gro -r speptide.gro -p speptide.top -o 

I got the following errors at the end.

checking input for internal consistency...
calling /usr/bin/cpp...
processing topology...
Generated 279 of the 1225 non-bonded parameter combinations
Excluding 3 bonded neighbours for Protein 1
turning all bonds into constraints...
Excluding 2 bonded neighbours for SOL 850
turning all bonds into constraints...
processing coordinates...
Fatal error: number of coordinates in coordinate file (speptide.gro, 191)
             does not match topology (speptide.top, 2741)

Did I miss something to change before grompp?

Thank you.

Seonah Kim.

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