[gmx-users] Error: No default angle/bond types

Justin A. Lemkul jalemkul at vt.edu
Sat Apr 21 23:58:47 CEST 2012

On 4/21/12 12:07 PM, Shima Arasteh wrote:
> Dear gmx users,
> When I enter the grompp command, I get this fatal error. How can I solve its
> problem?
> # grompp -f ions.mdp -c monomer_solv.gro -p topol.top -o ions.tpr

The error will print out the offending line, which you can use to find which 
atoms and thus which types are not parameterized.  At that point, you will 
either need to find/derive suitable parameters, or use a different force field 
that can address the system at hand.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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