[gmx-users] grompp error

Nilesh Dhumal ndhumal at andrew.cmu.edu
Mon Apr 23 05:49:35 CEST 2012


I am doing solvation dynamics for my system.

 When I am running grompp command I get  the error.

grompp -f md.mdp  -c  solvent-bmi-pf6-128.pdb   -p 
solvent-bmi-pf6-128.top  -o md-rerun.tpr

Fatal error:
No such combination rule 0

I using Gromacs VERSION 4.0.5.

What this error means?



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