[gmx-users] Force Fields Selection

[Smith, Micholas D.]

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

===================
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

Azeem
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.