[gmx-users] flexible water

David van der Spoel spoel at xray.bmc.uu.se
Fri Jun 11 15:14:22 CEST 2004

On Fri, 2004-06-11 at 13:24, Vincent Ballenegger wrote:
> Hi all,
> Gromacs allows one to use a flexible SPC and a flexible TIP4P water 
> model, but from what papers were the definitions of these models taken 
> (in particular the values of the force constants in bond and angle 
> streching)?
it says in the itp files
> Does gromacs support fluctuating charge models (SPC-FQ, TIP4P-FQ)?
> Is SWFLEX-AI the only polarisable model currently supported by gromacs?
no, but only this type of model is available. the LP model is also

> Thanks,
> Vincent
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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://xray.bmc.uu.se/~spoel

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