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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