[gmx-users] Gromacs for carbohydrates

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 28 18:10:04 CEST 2011

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.


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


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


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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