[gmx-users] extend the order of Ryckaert-Bellemans dihedral

[David van der Spoel]

dimka wrote:
> I just found this post back in 2003,
> http://www.gromacs.org/pipermail/gmx-users/2003-March/004537.html
> 
> has the Ryckaert-Bellemans potentials been extended for orders higher
> than 5th since then?  if not, can someone tell me what file to modify
> to do this?
src/gmxlib/bondfree.c

However, the difficult bit is passing extra parameters if you need them.
> 
> Dmitry.
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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://folding.bmc.uu.se
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