Hi ET,
I believe you are referring to one of these two:
Goetz, A.W., Williamson, M.J., Xu, D., Poole, D.,Grand, S.L., Walker, R.C.
"Routine microsecond molecular dynamics simulations with amber - part i:
Generalized born", Journal of Chemical Theory and Computation, 2012, 8
(5), pp 1542-1555, DOI:10.1021/ct200909j (Full Text PDF
<
http://www.wmd-lab.org/papers/2012_JCTC_GPU_GB_Paper_ct200909j.pdf>)
Grand, S.L.; Goetz, A.W.; Walker, R.C.; "SPFP: Speed without compromise -
a mixed precision model for GPU accelerated molecular dynamics
simulations", Chem. Phys. Comm., 2013, 184, pp374-380, DOI:
10.1016/j.cpc.2012.09.022 <
http://dx.doi.org/10.1016/j.cpc.2012.09.022>
(Full Text PDF
<
http://www.wmd-lab.org/papers/2012_10_Comp_Phys_Comm_SPFP_Paper.pdf>)
All the best
Ross
On 4/29/13 8:15 AM, "ET" <sketchfoot.gmail.com> wrote:
>Hi all,
>
>I saw a paper a while back that compared the RMSDs of AMBER trajectories
>generated with the GPU code to that generated by the CPU code. I believe
>the simulations were quite long (~100ns) and there were quite a few
>repeats.
>
>However, for the life of me, I cannot find this paper. Has anyone possibly
>got a link for it?
>
>br,
>ET
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Received on Mon Apr 29 2013 - 09:30:02 PDT
