On 6/28/12 8:43 PM, Shima Arasteh wrote:
Yes, I have studied the article by Jeffery B. Klauda and other articles related
to C36. And know where the parameters of CHARMM36 were derived.
By the way, when I search the lipidbook to find the .itp file I can't find it! What about
the lipid .itp ? Is it required yet? ( in your tutorial it's written "lipid.itp -
Berger lipid parameters" )
You do not need the so-called "lipid.itp" as it is for a completely different
force field. The "Berger lipids" are a united-atom parameter set derived in
1997 from a hybrid of OPLS and Gromos parameters. They are typically combined
with Gromos force fields.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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