[gmx-users] Constraints errors

[Alireza Moradzadeh]

Dear Users,
I want to simulate [BMIM][PF6] using following itp
[ moleculetype ]
PF6 2
[ atoms ]
; nr type resnr residue atom cgnr charge mass
1 P 1 PF6 P1 1 1.13 30.974
2 FP 1 PF6 F2 2 -0.33 18.998
3 FP 1 PF6 F3 3 -0.33 18.998
4 FP 1 PF6 F4 4 -0.33 18.998
5 FP 1 PF6 F5 5 -0.33 18.998
6 FP 1 PF6 F6 6 -0.33 18.998
7 FP 1 PF6 F7 7 -0.33 18.998
[ bonds ]
1 2 1
1 3 1
1 4 1
1 5 1
1 6 1
1 7 1
[ angles ]
2 1 3 1
2 1 4 1
2 1 6 1
2 1 7 1
3 1 4 1
3 1 5 1
3 1 7 1
4 1 5 1
4 1 6 1
5 1 6 1
5 1 7 1
6 1 7 1
2 1 5 1 180. 1165.
3 1 6 1 180. 1165.
4 1 7 1 180. 1165.

But I get following errors for both of my molecules.

Molecule type "PF" has 21 constraints.
For stability and efficiency reasons there should not be more constraints
more than internal degree of freedoms: 15
Is it right to use maxwarn in this case?!


Best Regards,
Alireza Moradzadeh