[gmx-users] Energy minimization steps

Syed Azeem syedazeemullah186 at gmail.com
Wed Dec 21 06:51:19 CET 2016


Hi all,

What is the basis of inputting the maximum number of energy
minimization steps in GROMACS?
Does maximum number of energy minimization steps depend on the number
of residues?

I came across many articles wherein the authors have described the
number of energy minimization steps within which they have minimized
their protein.

I have a protein of 596 residues to be simulated.

Thanks in advance

Azeem


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