Re: [gmx-users] Selection of force fields

2009-05-19 Thread 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

[gmx-users] Selection of force fields

2009-05-19 Thread ANINDITA GAYEN
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