[gmx-users] No default Proper Dih. types

Justin A. Lemkul jalemkul at vt.edu
Sat Jun 19 14:54:21 CEST 2010

fancy2012 wrote:
> Dear GMX users,
> When I run grompp, I got this error " No default Proper Dih. types", how 
> should I figure it out? Thanks in advance!

Whatever force field you're trying to use does not have a dihedral term for that 
type of dihedral.  Either obtain suitable parameters from the literature, 
parameterize it yourself, or use a different force field that can accommodate 
this term.


> All the best,
> fancy


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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