xiaojiong wrote:
Dear:
My receptor is membrane proteins,the I get protein-ligand complex.I
want to do MD simulations in DPPC.Can I use the GROMOS96 53a6 force
field modified in order to
include Berger’s parameters for lipids?
Sure, but there are other choices, as well.
The topology for the ligand was created employing the server PRODRG 2.5 Beta.
How to change the charges?
http://pubs.acs.org/doi/abs/10.1021/ci100335w
-Justin
--
========================================
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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