Equilibration of tool and workpiece

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1

Hello all.

I am applying initial velocities and equilibration in a simulation having two separate objects i.e. tool and workpiece. Tool has been kept fixed.
I am applying velocity in mobile atoms of workpiece.

2

Comments below.

Steve

3

Thanks for reply.

One more doubt!!!
Which fix is good for equilliberation.Usually “fix temp/rescale with fix nve” is used for equilibration (as shown in many example scripts).

My understanding is either "fix temp/rescale with fix nve" , "fix nve with fix langevin"
or "fix nvt"

4

Which fix is good for equilliberation.

There is no one, single, best answer to this Q.

All the fixes you mention do different things

(as documented) and can be used in different

scenarios.

This mail list is not a good way to learn how to do MD.

A textbook or other on-line resources, or your advisor

are the best way to do that.

Steve