[gmx-users] No default Proper Dih. types

[Justin A. Lemkul]

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.

-Justin

> All the best,
> fancy
> 

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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