[gmx-users] TIP3

David spoel at xray.bmc.uu.se
Tue Apr 15 11:38:01 CEST 2003


On Tue, 2003-04-15 at 11:26, Nguyen Hoang Phuong wrote:
> 
> Dear All,
> 
> the TIP3 water model in GROMACS is the rigid molecule. Is there flexible
> TIP3 available?
Check literature... It's easy enough to implement, but you need tested
parameters.

> 
> Phuong
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular 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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