http://ergodicity.iamganesh.com/2006/11/28/fast-molecular-dynamics/ Quick brown foxes and lazy dogs. Fri, 21 Nov 2008 13:17:43 +0000 http://wordpress.org/?v=2.6.2 http://ergodicity.iamganesh.com/2006/11/28/fast-molecular-dynamics/#comment-9284 Gromacs Workshop | Ganesh Swami Wed, 18 Jun 2008 16:11:43 +0000 http://ergodicity.iamganesh.com/2006/11/28/fast-molecular-dynamics/#comment-9284 <p>[...] D.E. Shaw Research took over with their super-scalable algorithms (I’ve written about this before.) With Gromacs 4.0, they’ve fixed the scalability problems and with a variety of other [...]</p> [...] D.E. Shaw Research took over with their super-scalable algorithms (I’ve written about this before.) With Gromacs 4.0, they’ve fixed the scalability problems and with a variety of other [...]

]]> http://ergodicity.iamganesh.com/2006/11/28/fast-molecular-dynamics/#comment-2170 Avoidable integrator errors » Ganesh Swami Fri, 16 Mar 2007 05:05:22 +0000 http://ergodicity.iamganesh.com/2006/11/28/fast-molecular-dynamics/#comment-2170 <p>[...] A friend brought this paper(pdf) to my attention “A common, avoidable source of error in molecular dynamics integrators” recently published in the Journal of Chemical Physics by D. E. Shaw Research. I had previously written about their award winning paper at SC06. [...]</p> [...] A friend brought this paper(pdf) to my attention “A common, avoidable source of error in molecular dynamics integrators” recently published in the Journal of Chemical Physics by D. E. Shaw Research. I had previously written about their award winning paper at SC06. [...]

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