[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
cut-off?
Thanks
Cheers
Mohsen
--
*Rewards work better than punishment ...*
--
*Rewards work better than punishment ...*
More information about the gromacs.org_gmx-users
mailing list