AMBER Archive (2008)

Subject: AMBER: AMBER force field for glycolipid

From: Stephane Abel (Stephane.Abel_at_cea.fr)
Date: Wed Oct 08 2008 - 07:25:12 CDT

Dear AMBERS users

For my work, I would like to simulate maltose-glycolipids micelles in
water. So by searching in the literature I found this paper

1. Chong, T.T., R. Hashim, and R.A. Bryce, Molecular Dynamics
Simulation of Monoalkyl Glycoside Micelles in Aqueous Solution:
Influence of Carbohydrate Headgroup Stereochemistry. J. Phys. Chem. B,
2006. 110(10): p. 4978-4984.
 

In this article, the authors used the force field from the cornell et
al. ff for the alkane tail et glycam_2000 for the surfactant headgroup.
So I would like to compare the micelles structures obtained with AMBER
ff with those previously performed with CHARMM ff. So my questions are:

- Is this combination of ff is well suited for this work ?

- If not, does it exist more recent (i.e. up to date) potential ?

Thank you very for your advices

Dr Stephane Abel

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