target presser is not zero

LAMMPS LAMMPS Mailing List Mirror
1

Hi Dear

I simulate a system consists of the polymeric chains in LAMMPS.

I set target pressure in NPT ensemble as following, but target pressure is not zero.

“fix 1 all npt temp 300 300 50 iso 0 0 1000 drag 2”.

The output of pressure in first step up to final step is following:

2

Hi Dear
I simulate a system consists of the polymeric chains in LAMMPS.
I set target pressure in NPT ensemble as following, but target pressure is
not zero.

this topic has been discussed many times. please spent some time
researching the mailing list archives (and also update your understanding
of statistical mechanics in the process) and talk to your adviser. this is
not really a LAMMPS question in the first place.

axel.