[gmx-users] Ryckaert-Bellemans Dihedral with AMBER
tarak20489 at gmail.com
Wed Mar 26 18:30:56 CET 2014
I need to use one Ryckaert-Bellemans dihedral type of a dihedral in a new
molecule. To do so, I'm including all the coefficients in .rtp file as
given below, (after bonds section)
HX CX CX OX 3 -7.70990 -10.7269 -15.2261 -2.2442
The Force field I'm using for the protein is the amber99sb-ildn.ff.
I have read an old post [
in the mailing list and got some clues about how to use this kind of
dihedral forms. Accordingly I have approached.
But at the end I've got the following error,
"No default Proper Dih. types"
Do I need to do something more?
Could anyone guide me the proper way of implementing it?
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