[gmx-developers] The development of a new implementation of RahmanParrinello.

ramon at juguete.quim.ucm.es ramon at juguete.quim.ucm.es
Sun Oct 9 00:48:33 CEST 2005


I am interested in helping to develop a reversible Rahman 
Parrinello implementation. I am modifying Gromacs by adding
iterations. This brings the desired stability in the conservation
of H, but at the cost of some performance. I do not think that this
is the code that Gromacs should have. Would be a contribution of 
Rahman Parrinello reversible and non iterative code be welcome?


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