[gmx-users] Gromacs for carbohydrates

[Justin A. Lemkul]

Geethu Issac wrote:
> /Hello Users,/
> 
> /I am doing simulation of gm2 ganglioside using GROMACS.Can anyone please
> help me in knowing the parameterization of carbohydrates and also any
> tutorial for simulation of carbohydrates using GROMACS./
> 

The parameterization methodology depends on the force field you're using.

http://www.gromacs.org/Documentation/How-tos/Parameterization

Once you have produced a suitable topology, the simulation of a carbohydrate is 
just like any other with Gromacs.

-Justin

> /Thanks in advance/
> 
> 
> -- /*Geethu Issac*/ */ /*
> 

-- 
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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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