Hi dear,
I want to pull a sheet graphene out of the polymer matrix .I used from command “fix move linear” for this job . What should I do to calculate the pull out force?
Can you help me ,please?
Thank you very much .
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What is a “pull out force”?
When using fix move there is no force involved in the motion. The atoms follow the prescribed trajectory without any consideration of the forces on them.
In your previous question, you were using fix smd. In steered MD you do have a force of a spring that is attached to the moving reference position and you can determine that force from the stretching of the spring (and then get the free energy (except for a constant), aka the potential of mean force (PMF) from integrating it).