dear LAMMPS users,
please find attached two table files-- table fene original is just the tabulated version of the original FENE potential, and the table_FENE one is a shifted potential with a minimum at 1.12246
The problem is, although the files are almost identical (the minimum is just shifted, the original FENE file runs, and the other one does not, and I am more then puzzled about this...
both are results of bond_write command.
The "broken" potential goes up to 4 steps and crashes as a result of a lost bond. I would appreciate any input!
many thanks,
Anna
table_FENE.txt (27.3 KB)
table_fene-original.txt (27.1 KB)
dear LAMMPS users,
please find attached two table files-- table fene original is just the
tabulated version of the original FENE potential, and the table_FENE one is
a shifted potential with a minimum at 1.12246
The problem is, although the files are almost identical (the minimum is
just shifted, the original FENE file runs, and the other one does not, and
I am more then puzzled about this...
both are results of bond_write command.
The "broken" potential goes up to 4 steps and crashes as a result of a
lost bond. I would appreciate any input!
many thanks,
actually, both files look bogus to me.
there is no suitable information here to track this down.
http://lammps.sandia.gov/guidelines.html
axel.