Why do I keep getting "Convergence error: Uphill_energy"?

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asked by about ZMM
edited by

Question about ZMM soft.
I have arbitrary PDB file. I try to do 1 minimization stage.
I have custom parameters:
LIMIT 1000
LIMIN 100000
KEE 1
STMIN 0.000001
DESTL 0.00001
KOPT 1
How can I avoid convergence error: "Uphill_energy"?

1 Answer

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No avatar answered by (95k points)

The convergence error "Uphill_energy" in the ZMM software typically occurs when the optimization algorithm is unable to find a downhill path towards the energy minimum. To avoid this error, you can try adjusting the parameters or initial conditions of the minimization stage. Experimenting with different values for LIMIT, LIMIN, KEE, STMIN, DESTL, and KOPT, or modifying your initial PDB file might help. It may also be useful to consult the ZMM software documentation or seek assistance from the software's support resources.

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