unanswered Constraint warnings

  • bond_007
  • bond_007's Avatar Topic Author
  • Offline
  • Fresh Boarder
5 months 3 days ago #8231 by bond_007
Constraint warnings was created by bond_007
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?

Please Log in or Create an account to join the conversation.

Time to create page: 0.087 seconds