[gmx-users] Analysis pull code simulation data to obtain Strain Stress curve

Alex nedomacho at gmail.com
Fri Mar 24 09:35:00 CET 2017

Hi there,

Everyone is confused about how to get stress-strain curves from Justin's 
tutorial. Because it has nothing to do with nanomechanics. Obtaining 
Young's modulus from a particle-based simulation is quite elementary, if 
a clear physical picture is present.

Please describe your system and explain what you are trying to achieve.


On 3/24/2017 2:15 AM, Md. Imrul Reza Shishir wrote:
> Dear all
> My target is to calculate nanomechanical properties (i.e. young's
> modulus/elastic modulus) from a strain-stress curve.
> For this purpose, I study Beven lab umbrella sampling pull code simulation.
> After that, I also run the same procedure simulation on my desire system.
> But I am now confused how I can obtain strain-stress curve from this
> simulation data.
> I want some guidance about this purpose.
> Thank you very much

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