Requesting Help in Fixing an Error Related to Inserting Rigid Molecules By GCMC

Dear LAMMPS Users,

I am trying to insert the molecules by using fix GCMC while using fix rigid/small to make the inserted molecules behave as a rigid body but I am getting the following error:

ERROR: Fix gcmc and fix rigid/small not using same molecule template ID (…/fix_gcmc.cpp:549)

Below is my input script:

units real
boundary p p p
atom_style full

read_data data.13_8
group bottom type 1 2

mass 1 95.94
mass 2 28.0855

group g_gcmc empty

pair_style rebomos
pair_coeff * * MoS.REBO.set5b M S

dump mydump all custom 1 dump_*.cfg id mol type x y z
dump_modify mydump element Mo S

molecule mos2 mos2.mol
region r_gcmc block EDGE EDGE EDGE EDGE 35 45

fix 1 bottom setforce 0 0 0
velocity bottom create 0.0 1

fix 2 all nve/limit 0.1
fix 3 g_gcmc gcmc 5 1 0 0 6700 1 0.1 1 mol mos2 region r_gcmc rigid 4
fix 4 g_gcmc rigid/small molecule

run 100

velocity g_gcmc set 0 0 -1
unfix 3

run 500

I am following the thread where almost same error is described here https://lammps.sandia.gov/threads/msg69983.html but it’s not exactly the same. Since there is a no thread available of the same error(or pardon me if I am unable to find it), can somebody please help to find out what’s wrong with my script.

I am using 22 Aug 2018 version of LAMMPS.

Thank you.

Dear LAMMPS Users,

I am trying to insert the molecules by using fix GCMC while using fix rigid/small to make the inserted molecules behave as a rigid body but I am getting the following error:

ERROR: Fix gcmc and fix rigid/small not using same molecule template ID (…/fix_gcmc.cpp:549)

…and this error message is pretty self-explanatory. rather than searching the mailing list for the off-chance of somebody reporting the same error without being able to figure it out, you should review the fix rigid/small documentation and figure out how to provide the same molecule template ID setting as used in fix gcmc. this should very straightforward to resolve.

axel.

Thanks Axel. It is working.