[gmx-users] details of entries in 'ff**bon.itp' files

[David van der Spoel]

On Wed, 2004-12-01 at 16:22 +0200, Arturas wrote:
> HI,
> 
> In 'ff**bon.itp' files there is entries about bond types like that:
> 
> #define gb_3        0.1090  1.2300e+07
> ; HC  -  C      700   
> 
> What does it mean '700' ?
First off, this is a comment. 700 is probably the corresponding force
constant for a harmonic bond in kcal/mol. Check the manual, chapter 4.
> 
> 
> 
> 
> Arturas
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++