Position Restraints Value

GROMACS version:
GROMACS modification: Yes/No
Hi everyone!
I would like to know if there is a way to know in advance the value required for my positional restraints in order to avoid the movement of my atoms.



The value depends on the force acting on the atoms. The default value of 1000 usually is good for a standard biomolecular simulation (e.i protein in water solution using one of the implemented force field). Maybe it helps.


Thank you for your response!