[gmx-users] acceleration - need help

[David]

On Mon, 2005-11-07 at 08:49 -0800, Budiono wrote:
> Dear all,
>  
> i'm trying to simulate flow inside the nano channel.
> in some way, i need to give acceleration for some molecul
> during certain period of time.
> is it possible in Gromacs ?
>  
> i'm thinking of modifying the source code, but it's quite complex and
> nasty to implement new stuff.
> does anyone know where i should start looking for acceleration stuff
> in the source code .
>  
>  
> thank you very much, any reply would be very appreciated
check
src/mdlib/update.c
src/mdlib/tgroup.c

>  
> Best,
> Budiono
> 
> 
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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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