[gmx-users] problem with angle restraints

[subarna thakur]

I trying to use angle restrain for an ligand molecule. I have included the 
following information in my .itp file of the ligand  -

[ angle_restraints ]
;  ai    aj    ak funct            c0            c1            c2            c3
    6     1     7     1          106.95        1000            1
    6     1     8     1          108.83        1000            1
    7     1     8     1          104.96        1000            1
    5     2     7     1          110.66        1000            1
    5     2     8     1          104.98        1000            1
When I am running the grompp command , I am getting an error-
Incorrect number of parameters - found 2, expected 3 or 6 for Angle Rest..
------------------
I have gone through the manual it says that for angle restrains we have to 
provide the theta(degree);fc; multi.I have given all the relevant information 
but still there is error. Please tell me where I have gone wrong.

 Subarna Thakur

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