[lammps-users] npt/asphere error

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1

Dear LAMMPS users,

I use this command in my .in file:
fix 1 all npt/asphere 1 1 1 xyz 0.1 0.1 0.1

but I get this error:
ERROR: Illegal fix nvt/npt/nph command

As much as I looked in LAMMPS manual I think there is nothing missed in the command (fix ID group−ID npt/asphere Tstart Tstop Tdamp xyz Pstart Pstop Pdamp)
Would you please help me to fix this error?

Thanks a lot,
Zahra

2

Which version of the code are you using? The commands for the Nosé-Hoover stats have changed recently: see http://lammps.sandia.gov/doc/fix_nh.html and http://lammps.sandia.gov/doc/fix_npt_asphere.html for the new syntax. (Try putting “temp” before “Tstart” in your example above.)

–AEI

3

The new version of your command would be:

fix 1 all npt/asphere temp 1 1 1 iso 0.1 0.1 0.1

btw, generally I expect to see Pdamp >> Tdamp >> timestep.