[gmx-users] Proteins on a solid surface

[David van der Spoel]

yOn Tue, 8 Feb 2005, Jon wrote:

>Has anybody had any experience simulating a protein on a solid surface 
>with GROMACS? The surfaces I have in mind would be gold, or SiO2? I 
>would appreciate some help.
>
>Also, if for instance, SiO2 is possible, which oxygen type would be best?
>
No experience, but on silicates use sugar oxygens in gromos force fields. 
Don't know about OPLS.

THere are no fundamental problems as long as the interactions are 
non-covalent in nature.
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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