[gmx-users] gromacs.org_gmx-users Digest, Vol 152, Issue 93
syedazeemullah186 at gmail.com
Fri Dec 23 07:16:47 CET 2016
Thanks for your consideration. As you said, I'd be lucky if I find
such a reference :-)
None of the articles that I came across, explained the reason behind
selection of force fields and other parameters.
> 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
>> Gromacs Users mailing list
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