Editing P-SHAKE
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
| Latest revision | Your text | ||
| Line 1: | Line 1: | ||
An algorithm for solving arbitrary linear constraints in molecular dynamics simulations of rigid and semi-rigid molecules is presented. The algorithm - P-SHAKE - is a modified version of the [[SHAKE]]. | An algorithm for solving arbitrary linear constraints in molecular dynamics simulations of rigid and semi-rigid molecules is presented. The algorithm - P-SHAKE - is a modified version of the [[SHAKE]]. | ||
==REFERENCES== | ==REFERENCES== | ||
#[http://dx.doi.org/10.1016/j.jcp.2006.05.032 Pedro Gonnet "P-SHAKE: A quadratically convergent SHAKE in O(n2)", Journal of Computational Physics '''220''' 740-750Β (2007)] | #[http://dx.doi.org/10.1016/j.jcp.2006.05.032 Pedro Gonnet "P-SHAKE: A quadratically convergent SHAKE in O(n2)", Journal of Computational Physics '''220''' 740-750Β (2007)] | ||
[[Category: Molecular dynamics]] | [[Category: Molecular dynamics]] | ||