[gmx-users] chitosan parameters?

[Madhur Sachan]

On Thu, Feb 2, 2012 at 7:07 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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<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
>
> --
> ==============================**==========
>
> 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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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thanx again justin..
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