[lammps-users] fixing movement of atom during relaxation

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1

Hi Steve and others,

Thanks for answering my previous question. I was able to fix that problem thanks to you.

Now I am encountering another problem. I wanted to prevent the movement of atoms of a group in 100 and 001 direction during minimization, and only allow movement in 010 direction. I tried to do that with lineforce and planeforce fix, but couldn’t make it work.

any suggestion?

Thanks in advance,

Tawhid

2

Dear Tawhid,
I think setorce fix should do it.

Vikas

3

Hi, Tawhid,

maybe the atoms you want to freeze have some initial velocity in the 100 and 001 directions. If so, the atoms may also move in these two directions even you have elimated the force at these direction (fix setforce, or fix planeforce)

Yi

4

If you run dynamics do they move as you expect?

Steve