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
and this is my bon.itp file;
[ bondtypes ]
; i j func b0 kb
Ab SLa 1 0.6430 374468
Tb SRa 1 0.4880 502080
SLa P 1 0.3559 376560
SRb P 1 0.3899 418400
HW OW 1 0.10000 418400
[ angletypes ]
; i j k func th0 cth
Ab SLa P 1 94.49 334.72
Tb SRa P 1 112.72 284.51
SLa P SLb 1 94.49 334.72
SRa P SRb 1 94.49 334.72
HW OW HW 1 109.500 502.080
[ 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 .
Can anyone of you give me some suggestions about that/
Thank you in advance.
Yang
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