[gmx-users] how to add a new potential to the system

[David van der Spoel]

On Sat, 2005-03-19 at 10:23 +0900, コウ チ wrote:
> hello All :
> 
>  i want to do a simulation of DPPC molecules on a gold surface. To  treat 
> the intercations between gold surface and DPPC molecules i want to add a 
> new  energy potential to the system. how to modify the orginal source codes 
> or is there a easier way to do it ?

You probably just need parameters for bond length and bond strength.
Check early work by the Klein group.
>  
>  regards
>                                                          caoch 
>                                                         tokyo institute 
> technology
> 
> 
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-- 
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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-- 
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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