[lammps-users] cannot control Temperature and Pressure together

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1

Please keep the mailing list in copy.

You mean that i should perform the npt or another integrator to the
"particles" and then compute the temperature and pressure and after use the
fix_modify?

1. I don't understand your question.

2. you don't give enough information on your problem: why can't you
simply integrate group all?

3. please really take the time to read thoroughly the following pages:

You have to define a compute temp that computes the temperature of
group particules, and assign it to your fix nvt through the fix_modify
command. The order doesn't matter.

Best,
Laurent

2

You have to define a compute temp that computes the temperature of
group particules, and assign it to your fix nvt through the fix_modify
command. The order doesn't matter.

Finally, don't forget to use the thermo_modify command to re-define
what temperature compute is used for default thermodynamic output:

3

i don’t want to integrate all because there are some things that i don’t want to be moved. So i want to perform thermostat and barostat only to the particles.