[gmx-users] fatal occur occuring

Justin A. Lemkul jalemkul at vt.edu
Fri Nov 18 06:00:06 CET 2011

swati patel wrote:
> hello,
> I am trying to simulate streptavidin tetramer-biotin complex.I ve 
> calculated Ligand topology from a sofware PRODRG using gromos87 force 
> fields.After solvating it,I am getting an error using grompp command
> Fatal error:
> Atomtype HW not found
> can anyone provide me some help?

The HW type is specific for the Gromos87 force field (i.e. gmx.ff in Gromacs), 
so if you're getting this fatal error, you're somehow mixing and matching force 
fields, likely between Gromos87 and Gromos96.



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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