GROMACS version: 2018.4
GROMACS modification: No
I have a problem. I want to run a 100 ns simulation with flex angle C3-C6-C7 between 130-160 degrees in lutein. This is my angle
How to implement this in topology?
I found an implementation of dihedral
[ dihedral_restraints ] ; ai aj ak al type phi dphi fc 58 59 61 63 0 10 0 1000
or position restraints
Here I can’t see Restraints — GROMACS 2021.3 documentation what I should write in my topology file (I see only theory in section angle restraints) to use these restraints in my simulation.
In addition, I see only Flat-bottomed position (not angle) restraints, so to implement restraints of flex angle between 130-160 should I use position restraints instead of angle restraints?