Rabab Toubar wrote:
I came across this paper for the ff G45a3 and it says that is good for
aliphatics, so I was wondering if there is a forcefield that is recommended
to be used in case of proteins simulations in water.
There is no substitute for reading the primary literature for each of the force
fields out there, understanding their derivation, assumptions, and goals, and
then deciding which one is best suited for your application. You should also
look for literature that discusses the limitations or errors that have been
discovered over time. The choice of force field is very important, so you
definitely need to do some thorough homework. You can probably make an argument
for or against many of the popular force fields, so you have to be ready to
defend your choice should a reviewer question it.
-Justin
Rabab Toubar
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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