[gmx-users] Implementation of SHAKE

[Mario Fernández Pendás]

Dear all,

Am I right if I say that the SHAKE algorithm is implemented in GROMACS
following the ideas presented in "A fast SHAKE algorithm to solve distance
constraint equations for small molecules in molecular dynamics simulations"
by Kräutler,van Gunsteren and Hünenberger?

http://onlinelibrary.wiley.com/doi/10.1002/1096-987X%2820010415%2922:5%3C501::AID-JCC1021%3E3.0.CO;2-V/abstract

Thank you very much.

Cheers,
Mario Fernández-Pendás