Pressure/fugacity in GCMC

Dear all,

I am testing a bit the GCMC implementation in LAMMPS. I am just inserting/deleting/moving water molecules (SPC model) in a box. Iuse the fix:

fix gcmc water gcmc 1 50 10 1 123123123 298 -10.0 0.5 molecule yes maxangle 10

and int works fine. As soon as I change the command to specify the pressure or fugacity, it crashes

fix gcmc water gcmc 1 50 10 1 123123123 298 -10.0 0.5 molecule yes maxangle 10 pressure 0.04
ERROR: Illegal fix gcmc command (fix_gcmc.cpp:199)

Any hint on the error?
BTW, there is a typo in the examples given in the manual. It is written maxrot where it should be maxangle.

Dear all,

I am testing a bit the GCMC implementation in LAMMPS. I am just
inserting/deleting/moving water molecules (SPC model) in a box. Iuse the
fix:

fix gcmc water gcmc 1 50 10 1 123123123 298 -10.0 0.5 molecule yes maxangle
10

and int works fine. As soon as I change the command to specify the pressure
or fugacity, it crashes

fix gcmc water gcmc 1 50 10 1 123123123 298 -10.0 0.5 molecule yes maxangle
10 pressure 0.04
ERROR: Illegal fix gcmc command (fix_gcmc.cpp:199)

Any hint on the error?

are you using a recent enough version of lammps?

axel.

BTW, there is a typo in the examples given in the manual. It is written maxrot where it should be maxangle.

Fixed it - thanks

Steve