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
--
========================================
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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