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 <aninditaga...@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 > > Senior Research Fellow > > Department of Chemistry > > University of Calcutta > > 92, A. P. C. Road > > Kolkata-700 009 > > India > > > > > > > > Explore and discover exciting holidays and getaways with Yahoo! India > Travel http://in.travel.yahoo.com/ -- 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 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
