[gmx-users] LJ cut-offs

Mohsen Ramezanpour ramezanpour.mohsen at gmail.com
Fri Jan 6 01:20:31 CET 2017

Dear Gromacs users,

Every force field has been parametrized with a specific LJ cut-off which
must be the same for simulations using that force field.
However, I was wondering if there is any reason why people usually take
even numbers (e.g. 8-10, 8-12, 10-12 all with a difference of 2) for LJ
cut-offs in force field development?
Is there any rule that prohibit the use of 9-10, 9-11, or 11-12 for LJ



*Rewards work better than punishment ...*

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