[gmx-users] Selection of force fields

[Tsjerk Wassenaar]

Hi Anindita,

I was sort of afraid you might be dealing with glycosphingolipids. The
Gromos force fields do not have properly behaving models for
sphingolipids yet. I'm not sure whether other force fields do much
better. There's some serious parameterization to do here. If you have
experimenal data or can get experimental data for the behaviour using
ester lipid analogues, you could do simulations with those, which
offer better behaviour in silico.

Cheers,

Tsjerk


On 5/20/09, ANINDITA GAYEN <aninditagayen at yahoo.co.in> wrote:
> Dear Tsjerk,
>
>         Thanks for your reply. I am
> interested to work with ganglioside GM1. In that case which ffG???? will be
> appropriate for me.
>
>
>
>
> Ms. Anindita Gayen
>
>  C/O Dr. Chaitali Mukhopadhyay
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623