[lammps-users] Is there any tool to locate the peaks in a MD position file?

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1

To whom it may concern:

I'm trying to analyse a nearly 2D atomic configurations from LAMMPS MD run.
Is there any tools that can locate the peaks from the xyz?

Thanks,

2

To whom it may concern:

I'm trying to analyse a nearly 2D atomic configurations from LAMMPS MD
run.
Is there any tools that can locate the peaks from the xyz?

sounds like a job for VMD scripting:
http://www.ks.uiuc.edu/Research/vmd

cheers,
  axel.

3

Thank you for the info.
I'm going to study this.

Y. Lin

4

What does peaks from xyz mean?

Steve

5

A nearly 2D xyz file looks like a membrane. During MD simulation, the membrane won't stay in the perfect 2D plane. Therefore there must be peaks and valleys.

Thanks,

Y. Lin