how can i control the temperature in fix_gcmc

Dear all,
Recently, i am study the gas adsorption in porous materials using the fix_gcmc command in lammps, but, i find the result i get is so different from my expectation. I want to get the adsorption isothermo .T=300K, but, the temperature in result i get is below 100K. I can’t understand this and i don’t know how to settle this, control the temperature about 300K.I have attached the input script and the output file.
Looking forward your reply.Thanks


rescale.out (47.3 KB)

H2O.txt (550 Bytes)

in.gcmc.h2onvt+gcmc (2.91 KB)

You are using an outdated version of examples/gcmc/in.gcmc.h2o. In particular, we recently fixed the problem with temperature control in that script by adding the line:

compute_modify mynvt_temp dynamic/dof yes

Try using the most recent version.