[gmx-users] want to create .top file from scratch

[David van der Spoel]

On Mon, 2005-11-21 at 15:32 +0530, Rahul Karyappa wrote:
> Dear all,  
>    I want to create a topology file from scratch. How should I
> proceed? Where can I get all the interaction parameters? Actually I
> want to create topology file for a clay consisting Al and Si.
> Suggestions are welcome.
Ch. 5 manual for file info.
Check literature for parameters and potentials.

> THanking you in advance.
> 
> Rahul Karyappa
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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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