Dear all,
I try to perform gcmc simulation using fix gcmc option in lammps. I try to insert water molecules. I describe the water molecule using molecule command as follows,
molecule 12 my_water.txt and then used fix gcmc command as follows,
fix 2 all gcmc 10 1000 1000 0 29494 298.0 -0.5 0.01 mol 12
then when i ran, I got the following error, "ERROR: Invalid atom type in fix gcmc mol command (…/fix_gcmc.cpp:157 ", as i am inserting water molecules. I defined type as 0 in the fix gcmc command. Please find the attached water molecule file for reference. Can you please suggest me a way to rectify this error.
Thanks & Regards,
K. Mohan Maruthi
my_water.txt (554 Bytes)