[gmx-users] flexible water

Vincent Ballenegger vcb25 at cam.ac.uk
Fri Jun 11 13:24:42 CEST 2004


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)?
Does gromacs support fluctuating charge models (SPC-FQ, TIP4P-FQ)?
Is SWFLEX-AI the only polarisable model currently supported by gromacs?

Thanks,
Vincent




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