[gmx-users] Implementation of SHAKE
mark.j.abraham at gmail.com
Thu Oct 23 01:15:25 CEST 2014
No, it's the original, as cited in the manual.
On Wed, Oct 22, 2014 at 6:06 PM, Mario Fernández Pendás <mariofp77 at gmail.com
> 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?
> Thank you very much.
> Mario Fernández-Pendás
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