[gmx-users] chitosan parameters?

[Justin A. Lemkul]

Madhur Sachan wrote:
> Hi,
> Can anyone tell me methods to generate gromacs compatible parameters for 
> chitosan?
> 

You need to choose a force field for which you will do the parameterization, and 
then derive them in accordance with existing force field methodology.  This 
procedure is not simple.

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

Putting the parameters in suitable format for use with Gromacs requires a 
thorough understanding of Chapter 5 of the manual.

-Justin

-- 
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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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