[gmx-users] SPC vs tip3p for water

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 27 21:15:57 CET 2002

On Wed, 27 Mar 2002, Erik Lindahl wrote:

>No, it's basically exactly the same water model but with very slightly 
>different charges (optimized for different forcefield).
>You can compare the files spc.itp and tip3p.itp in the topology directory.

But unless you have very special reason to use Tip3p, don't. It's no good.
Checkout my water paper:

David van der Spoel, Paul J. van Maaren and Herman J.C. Berendsen, A
systematic study of water models for molecular simulation: Derivation of
water models optimized for use with a reaction field. J Chem Phys 108
(1998) 10220-10230

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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