[CPMD-list] polypeptide on mineral surface

[Jerry Chan]

Dear all,

I am wondering whether CPMD could be used to study the interaction
between a 15-residue polypeptide and an inorganic surface. I am hoping
to optimize the conformation of the polypeptide and its distance from
the inorganic surface. I would be very much grateful to your comments.

Many thanks,
Jerry

-- 
Jerry C. C. Chan		phone: 886-2-23630231 Ext 2782
Chemistry Department		fax:   886-2-23636359
National Taiwan University
No. 1, Sec. 4, Roosevelt Road
Taipei, Taiwan