[gmx-users] How to extend Ryckaert-Bellemans parameters?

[David van der Spoel]

Mark Abraham wrote:
> Nicolas Sapay wrote:
> 
>> As it is not possible to do that in the ffxxxbon.itp file, I was sure 
>> it was the same thing in all other files. But it works perfectly with 
>> my .top files... Thanks!
> 
> /headscratch
> 
> It should work in the .itp file too, since your .top file is just 
> including that... The trick here is that if you use the same atom set 
> and function type, it will over-write any previous occurrence.
> 
> Mark
It does *not* work in the e.g. bondtypes.itp, but it does work in any 
molecule definition.

-- 
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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