normal Constraint warnings

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9 months 2 weeks ago #8231 by bond_007
Constraint warnings was created by bond_007
Hello,
I am simulating a protein in solution. And after the pre-processing step in GROMACS using grompp, it displays a warning as :

"The bond in molecule-type Protein_A between atoms 1 BB and 2 BB has an
estimated oscillational period of 9.7e-02 ps, which is less than 5 times
the time step of 2.0e-02 ps.
Maybe you forgot to change the constraints mdp option."

What does this mean? And what options do I change in the LINCS constraints?

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2 months 3 weeks ago #8465 by z.sichaib
Replied by z.sichaib on topic Constraint warnings
Hi,

Could you understand the origin of the problem? Did you fix it? I am going through the same issue and it would be great if you can share with me your opinion about this :)

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