[gmx-users] Force Fields Selection

Smith, Micholas D. smithmd at ornl.gov
Thu Dec 22 14:54:51 CET 2016

Hi Azeem,

At this point in time, it is pretty much a trial and error kind method. You may have some luck with a literature search to see if anyone has performed a benchmark on your system, or a similar one, and that may guide you a bit. 


Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics

From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Syed Azeem <syedazeemullah186 at gmail.com>
Sent: Thursday, December 22, 2016 8:51 AM
To: gromacs.org_gmx-users
Subject: [gmx-users] Force Fields Selection

Hi all,

What are criteria for choosing the force fields?

Is choosing a force field for a particular protein molecule, a trial
and error method based?

Thanks in advance

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