He, Yang wrote:
Hi all users,
I just use the grompp -f att.mdp -c atom_b4em.gro -p hust.top -maxwarn 10 -pp
and then always show the :
Fatal error:
Invalid dihedral type 0
You should try to work out which line this relates to...
[ dihedraltypes ]
; i l func q0 cq
Ab SLb 2 0.000 -22.60
[ dihedraltypes ]
;j k func phi0 cp mult
SRa P 1 180.0000 -33.42 2
I have tried but it did not work .
Yup - read the format description for these function types (e.g. Table
5.3 in the 3.3 manual). You're giving a set of parameters that do not
match your function types.
Mark
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