Hello
Why not to use my parameters ;)
http://pubs.acs.org/doi/abs/10.1021/jp109545v
The (free) parameters are available here : http://upjv.q4md-forcefieldtools.org/REDDB/listproject2.php?id=152
Stéphane
--------------------------------------------------------------------
Stéphane Abel, Ph.D.
CEA Saclay DSV/ISVFJ/SB2SM
Institut de Biologie Intégrative de la Cellule (I2BC)
Bat 528, Office 138C
Gif-sur-Yvette, F-91191 FRANCE
Phone (portable) : +33 6 49 37 70 60
________________________________________
De : Meng Wu [wumeng.shanghaitech.edu.cn]
Envoyé : mercredi 12 juillet 2017 14:26
À : amber.ambermd.org
Objet : [AMBER] micelle simulation
Dear All,
I would like to simulate a micelle(n-Dodecyl-β-D-maltopyranoside, DDM)in the water with Amber16, but I am not sure what force field should I apply, could I just use the GAFF?
Any suggestions would be greatly appreciated.
Thank you in advance!
All the best,
Wu Meng
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Received on Wed Jul 12 2017 - 07:30:05 PDT
