[gmx-users] ffoplsaa.rtp tip4p

[David van der Spoel]

On Tue, 2003-07-01 at 14:30, Kay Gottschalk wrote:
> Hi there,
> did anyone update ffoplsaa.rtp to match tip4p-water?
> Thanks,
You want to do this differently. It's a bit more complicated.
Just generate SPC as usual (e.g. crystal waters). Then you take the
waters out of the conf file (e.g. using editconf) and use 
the program src/contrib/mkyaw to add dummies to the waters. and finally
put them back. Don't forget to update the include file for the topology.


> Kay
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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