Dear CHARMM users,

I would like to simulate the LH2 complex and its pigments with the CHARMM force field. My problem is for one pigment of the complex : rhodopsin glucoside (see attached image). Before to ask this question I have read the Keeno's negative response about the LUTEIN

http://www.charmm.org/ubbthreads-7-5-5/ubbthreads.php?ubb=showflat&Number=26707#Post26707

Since my molecule is very similar to LUTEIN , I don't know if is possible to obtain a good model for my molecule with the current version of the CHARMM force field. My first approach is to use for the sugar and the alkyl parts of the molecule the CHARMM carbohydrate and the alkane parameters, respectively. Can you confirm this ?

Many thanks for your response (and happy new year to all, it is not to late ;0).

A bientot

Stephane




Attached Images
Rhodopsine_Glucoside.gif
Last edited by stefane; 01/23/12 10:26 PM.