Hi Ross,
Thanks for the links and apologies for the long time replying. I had a
quick look at the papers and one of these is the likely one.
best regards,
g
On 29 April 2013 17:19, Ross Walker <ross.rosswalker.co.uk> wrote:
> 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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> >AMBER.ambermd.org
> >http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
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Received on Wed May 08 2013 - 17:30:02 PDT
