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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Received on Fri Oct 10 2008 - 05:07:15 PDT
