Simple Energy Minimization commands-I am very new

User discussions
1

GROMACS version: 2020.1-Ubuntu-2020.1-1
GROMACS modification: Yes/No
Dear GROMACS users,

I am incredibly new to the program and Linux in general, so be easy on me. I have a protein and 60-mer file that I would like to do a simple energy minimization on, not necessarily even in water just to reduce any friction that may have come from the prediction and build of the 60-mer. How would I plug in the commands to do such a task?

FYI- I have completed simple tutorials and have created topology files/gro files. I have also followed a YouTube for energy minimization, but I feel it is too in depth for the simple one that I need, and plus it did not work when I tried to generate a box. Please help me

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Hi,
You can look to commands and the mdp files here Introduction to Molecular Dynamics — GROMACS tutorials https://tutorials.gromacs.org documentation. Maybe it is useful.
\Alessandra

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Thank you, I will try this.