[gmx-users] Fwd: LJ cut-offs

Mohsen Ramezanpour ramezanpour.mohsen at gmail.com
Wed Jan 11 04:40:56 CET 2017

Dear gromacs users,

Please let me know your opinion on the following question:
Thanks in advance for your comments

---------- Forwarded message ----------
From: Mohsen Ramezanpour <ramezanpour.mohsen at gmail.com>
Date: Thu, Jan 5, 2017 at 5:20 PM
Subject: LJ cut-offs
To: Discussion list for GROMACS users <gmx-users at gromacs.org>

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



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