Problem with shrinking the simulation box

Dear Lammps users,

I want to shrink my simulation box to reach a desired density.
I have the targeted box length.
I look online and follow some suggestions as to use “fix deform” command with the targeted box siae end “lo” and “hi”.

I use the following command:

fix 3 all deform 1 x final -32.8020 32.8020 y final -32.8020 32.8020 z final -32.8020 32.8020 units box

The output gives me a box size of shrinked from 308.502 to 307.85.

Why does it not shrink to the value 32.8020?

The final image of my polymer in the box, look like a dilute solution.
May someone help to fix it?

Thank you,

regards

Stanard MP

Dear Lammps users,

I want to shrink my simulation box to reach a desired density.
I have the targeted box length.
I look online and follow some suggestions as to use “fix deform” command with the targeted box siae end “lo” and “hi”.

I use the following command:

fix 3 all deform 1 x final -32.8020 32.8020 y final -32.8020 32.8020 z final -32.8020 32.8020 units box

The output gives me a box size of shrinked from 308.502 to 307.85.

Why does it not shrink to the value 32.8020?

The final image of my polymer in the box, look like a dilute solution.
May someone help to fix it?

impossible to say since you are not providing any helpful information. it cannot be due to the fix deform command as such, since if i add this command to the in.peptide input in examples/peptide, the resulting final box parameters are exactly as requested.

axel.

Dear Axel,

There is the input script:

[…]

the alone is not sufficient. as it is not enough to reproduce your run and without the output one cannot see whether your commands are actually doing what they are supposed to be doing.