Dear all,
I’m trying to create a void inside a box of a bulk water. After equilibrating the bulk water box, I used region and group command followed by delete_atom command. The keyword was “mol yes”, as I want to delete the entire molecules. But surprisingly all the selected molecules were not deleted so as a consequence my system become non-neutral and pppm throws errors.
For you perusal I’m attaching a short input deck with data file and the log file. Please make your comment.Thanks in advance for your time.
Regards,
Vishnu Wakof
input.lmp (1006 Bytes)
log.lammps (1.89 KB)
water-box-data (1.17 MB)