[gmx-users] dna, lipid simulation

[Justin A. Lemkul]

Amit Choubey wrote:
> Hi all,
> 
> This is a question unrelated to gromacs but would pose it anyway to get 
> some hints from the experts.
> I wish to set up DNA and DPPC lipid membrane simulation. Could someone 
> please refer to a relevant forcefield/tutorial for simulation of lipids 
> with DNA?
> 

I would suspect that the CHARMM force fields could cover this quite nicely.

There is no tutorial for exactly what you want, but in principal, is very 
similar to the membrane protein tutorial I wrote (see 
http://www.gromacs.org/Documentation/Tutorials#Membrane_Simulations), although 
if you choose to use CHARMM, there is no need to mess with topologies; 
everything you need should be built in.  The same fundamentals apply, though.

-Justin

> Any help will be really appreciated.
> 
> Thank you
> amit
> 

-- 
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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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